tetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane

C235H268N18Na24O92S30 — CID 159947239

IUPACtetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane
SMILESC.C.CC(C=C/C=C1/N(CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)C)=CC=CC1=[N+](CCCCS(=O)(=O)[O-])c2ccc(SOO[O-])cc2C1(C)C.CC1(C)C(C=C/C=C2/N(CCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCS(=O)(=O)[O-])c2ccc(SOO[O-])cc21.CC1(C)C(C=CC2=C(NCCS(=O)(=O)[O-])C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)CC2)=[N+](CCCCS(=O)(=O)[O-])c2ccc(SOO[O-])cc21.CC1(C)C(C=CC2=C(Nc3cc(SOO[O-])cc(S(=O)(=O)[O-])c3)C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)CC2)=[N+](CCCCS(=O)(=O)[O-])c2ccc(SOO[O-])cc21.[C-]#[N+]C(C(=O)NCCS(=O)(=O)[O-])C1=C(C=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc(SOO[O-])cc3C2(C)C)CCC1=C/C=C1/N(CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)C.[C-]#[N+]C(C(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-])C1=C(C=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc(SOO[O-])cc3C2(C)C)CCC1=C/C=C1/N(CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C46H52N4O19S6.C43H51N3O18S6.C42H52N4O16S5.C39H51N3O15S5.C36H46N2O12S4.C27H32N2O12S4.2CH4.24Na/c1-45(2)34-26-31(70-69-68-52)14-17-37(34)49(22-6-8-24-71(53,54)55)40(45)20-12-29-10-11-30(42(29)43(47-5)44(51)48-36-28-33(74(62,63)64)16-19-39(36)75(65,66)67)13-21-41-46(3,4)35-27-32(73(59,60)61)15-18-38(35)50(41)23-7-9-25-72(56,57)58;1-42(2)35-26-31(65-63-61-47)13-15-37(35)45(19-5-7-21-67(49,50)51)39(42)17-11-28-9-10-29(41(28)44-30-23-32(66-64-62-48)25-34(24-30)70(58,59)60)12-18-40-43(3,4)36-27-33(69(55,56)57)14-16-38(36)46(40)20-6-8-22-68(52,53)54;1-41(2)32-26-30(63-62-61-48)14-16-34(32)45(21-6-8-23-64(49,50)51)36(41)18-12-28-10-11-29(38(28)39(43-5)40(47)44-20-25-66(55,56)57)13-19-37-42(3,4)33-27-31(67(58,59)60)15-17-35(33)46(37)22-7-9-24-65(52,53)54;1-38(2)31-25-29(58-57-56-43)13-15-33(31)41(20-5-7-22-59(44,45)46)35(38)17-11-27-9-10-28(37(27)40-19-24-61(50,51)52)12-18-36-39(3,4)32-26-30(62(53,54)55)14-16-34(32)42(36)21-6-8-23-60(47,48)49;1-26(12-10-14-33-35(2,3)29-24-27(51-50-49-39)16-18-31(29)37(33)20-6-8-22-52(40,41)42)13-11-15-34-36(4,5)30-25-28(54(46,47)48)17-19-32(30)38(34)21-7-9-23-53(43,44)45;1-26(2)20-16-18(42-41-40-30)8-10-22(20)28(12-14-43(31,32)33)24(26)6-5-7-25-27(3,4)21-17-19(45(37,38)39)9-11-23(21)29(25)13-15-44(34,35)36;;;;;;;;;;;;;;;;;;;;;;;;;;/h12-21,26-28,43H,6-11,22-25H2,1-4H3,(H6-,48,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67);11-18,23-27H,5-10,19-22H2,1-4H3,(H6,47,48,49,50,51,52,53,54,55,56,57,58,59,60);12-19,26-27,39H,6-11,20-25H2,1-4H3,(H5-,44,47,48,49,50,51,52,53,54,55,56,57,58,59,60);11-18,25-26H,5-10,19-24H2,1-4H3,(H5,43,44,45,46,47,48,49,50,51,52,53,54,55);10-19,24-25H,6-9,20-23H2,1-5H3,(H3-,39,40,41,42,43,44,45,46,47,48);5-11,16-17H,12-15H2,1-4H3,(H3-,30,31,32,33,34,35,36,37,38,39);2*1H4;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;24*+1/p-24/b;29-12?,40-18+;;28-12?,36-18+;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyDHFLTVDDGFORRQ-IYNIYGEPSA-A
MW6330.53 g/mol
LogP-50.12
Rot. Bonds118

About tetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane

tetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane (PubChem CID 159947239) has the molecular formula C235H268N18Na24O92S30 and a molecular weight of 6330.53 g/mol. Its IUPAC name is tetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane.

Molecular Properties

Compound Nametetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane
PubChem CID159947239
Molecular FormulaC235H268N18Na24O92S30
Molecular Weight6330.53 g/mol
Exact Mass6324.60
IUPAC Nametetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane
SMILESC.C.CC(C=C/C=C1/N(CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)C)=CC=CC1=[N+](CCCCS(=O)(=O)[O-])c2ccc(SOO[O-])cc2C1(C)C.CC1(C)C(C=C/C=C2/N(CCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCS(=O)(=O)[O-])c2ccc(SOO[O-])cc21.CC1(C)C(C=CC2=C(NCCS(=O)(=O)[O-])C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)CC2)=[N+](CCCCS(=O)(=O)[O-])c2ccc(SOO[O-])cc21.CC1(C)C(C=CC2=C(Nc3cc(SOO[O-])cc(S(=O)(=O)[O-])c3)C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)CC2)=[N+](CCCCS(=O)(=O)[O-])c2ccc(SOO[O-])cc21.[C-]#[N+]C(C(=O)NCCS(=O)(=O)[O-])C1=C(C=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc(SOO[O-])cc3C2(C)C)CCC1=C/C=C1/N(CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)C.[C-]#[N+]C(C(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-])C1=C(C=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc(SOO[O-])cc3C2(C)C)CCC1=C/C=C1/N(CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C46H52N4O19S6.C43H51N3O18S6.C42H52N4O16S5.C39H51N3O15S5.C36H46N2O12S4.C27H32N2O12S4.2CH4.24Na/c1-45(2)34-26-31(70-69-68-52)14-17-37(34)49(22-6-8-24-71(53,54)55)40(45)20-12-29-10-11-30(42(29)43(47-5)44(51)48-36-28-33(74(62,63)64)16-19-39(36)75(65,66)67)13-21-41-46(3,4)35-27-32(73(59,60)61)15-18-38(35)50(41)23-7-9-25-72(56,57)58;1-42(2)35-26-31(65-63-61-47)13-15-37(35)45(19-5-7-21-67(49,50)51)39(42)17-11-28-9-10-29(41(28)44-30-23-32(66-64-62-48)25-34(24-30)70(58,59)60)12-18-40-43(3,4)36-27-33(69(55,56)57)14-16-38(36)46(40)20-6-8-22-68(52,53)54;1-41(2)32-26-30(63-62-61-48)14-16-34(32)45(21-6-8-23-64(49,50)51)36(41)18-12-28-10-11-29(38(28)39(43-5)40(47)44-20-25-66(55,56)57)13-19-37-42(3,4)33-27-31(67(58,59)60)15-17-35(33)46(37)22-7-9-24-65(52,53)54;1-38(2)31-25-29(58-57-56-43)13-15-33(31)41(20-5-7-22-59(44,45)46)35(38)17-11-27-9-10-28(37(27)40-19-24-61(50,51)52)12-18-36-39(3,4)32-26-30(62(53,54)55)14-16-34(32)42(36)21-6-8-23-60(47,48)49;1-26(12-10-14-33-35(2,3)29-24-27(51-50-49-39)16-18-31(29)37(33)20-6-8-22-52(40,41)42)13-11-15-34-36(4,5)30-25-28(54(46,47)48)17-19-32(30)38(34)21-7-9-23-53(43,44)45;1-26(2)20-16-18(42-41-40-30)8-10-22(20)28(12-14-43(31,32)33)24(26)6-5-7-25-27(3,4)21-17-19(45(37,38)39)9-11-23(21)29(25)13-15-44(34,35)36;;;;;;;;;;;;;;;;;;;;;;;;;;/h12-21,26-28,43H,6-11,22-25H2,1-4H3,(H6-,48,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67);11-18,23-27H,5-10,19-22H2,1-4H3,(H6,47,48,49,50,51,52,53,54,55,56,57,58,59,60);12-19,26-27,39H,6-11,20-25H2,1-4H3,(H5-,44,47,48,49,50,51,52,53,54,55,56,57,58,59,60);11-18,25-26H,5-10,19-24H2,1-4H3,(H5,43,44,45,46,47,48,49,50,51,52,53,54,55);10-19,24-25H,6-9,20-23H2,1-5H3,(H3-,39,40,41,42,43,44,45,46,47,48);5-11,16-17H,12-15H2,1-4H3,(H3-,30,31,32,33,34,35,36,37,38,39);2*1H4;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;24*+1/p-24/b;29-12?,40-18+;;28-12?,36-18+;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyDHFLTVDDGFORRQ-IYNIYGEPSA-A
XLogP-50.12
TPSA1734.72 Ų
H-Bond Donors4
H-Bond Acceptors107
Rotatable Bonds118
Heavy Atoms399
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5006330.53
LogP ≤ 5-50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 10107

Analyze tetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane with MolForge

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Related Compounds

tripotassium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate
CID 59973264
trisodium;2-[7-[3,3-dimethyl-5-sulfonato-1-(2-sulfonatoethyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate
CID 73427367
trisodium;(2E)-2-[(2E)-2-[2-(3-carboxyphenyl)-3-[(E)-2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indole-5-sulfonate
CID 59623605
tetrasodium;(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-(2-sulfonatoethyl)hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate
CID 160662109
dipotassium;(2Z)-1-[6-[3-(dimethylamino)propylamino]-6-oxohexyl]-2-[(E)-3-[1-[6-[3-(dimethylamino)propylamino]-6-oxohexyl]-3,3-dimethyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindole-5-sulfonate
CID 59109255
4-[2-[(E)-2-[(3E)-2-(10-carboxydecylamino)-3-[(2E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-5-(trioxidanylsulfanyl)indol-1-ium-1-yl]butane-1-sulfonate;4-[2-[(E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-2-ylidene]ethylidene]-2-[[11-(2,5-dioxopyrrolidin-1-yl)oxy-11-oxoundecyl]amino]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-5-(trioxidanylsulfanyl)indol-1-ium-1-yl]butane-1-sulfonate
CID 162084553
4-[2-[3-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-oxidoperoxysulfanylindol-1-yl]butane-1-sulfonate
CID 59086682
(2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-pentoxyphenyl)cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indole-5-sulfonate
CID 59623584
dodecasodium;(2E)-2-[2-[2-chloro-3-[2-[1,1-dimethyl-7-oxidoperoxysulfanyl-9-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,1-dimethyl-9-oxidoperoxysulfanyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[2-[2-chloro-3-[(2E)-2-[1,1,7-trimethyl-9-oxidoperoxysulfanyl-3-(4-sulfonatobutyl)benzo[e]indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-9-sulfonate;2-[2-[3-[2-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(2-sulfonatoethyl)benzo[e]indol-2-ylidene]ethylidene]-2-methylcyclohexen-1-yl]ethenyl]-1,1-dimethyl-3-(2-sulfonatoethyl)benzo[e]indol-3-ium-7-sulfonate
CID 157179808
disodium;1-(5-carboxypentyl)-2-[5-(1-ethyl-3,3-dimethyl-5-oxidoperoxysulfanylindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate;1-(5-carboxypentyl)-2-[3-(1-ethyl-3,3-dimethyl-5-oxidoperoxysulfanylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-5-sulfonate
CID 160977977
4-[2-[(E)-2-[(3E)-3-[(2E)-2-[3,3-dimethyl-1-(4-oxidoperoxysulfanylbutyl)indol-2-ylidene]ethylidene]-2-(sulfamoylamino)cyclopenten-1-yl]ethenyl]-3,3-dimethylindol-1-ium-1-yl]butane-1-sulfonate
CID 59189287
(2Z)-2-[(2Z,4Z,6E)-4-chloro-7-[3,3-dimethyl-1-(4-sulfobutyl)-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfobutyl)indole-5-sulfonic acid
CID 59100601

Frequently Asked Questions

What is the IUPAC name of tetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane?
The IUPAC name of tetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane (CID 159947239) is tetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane.
What is the SMILES notation for tetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane?
The canonical SMILES for tetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane is C.C.CC(C=C/C=C1/N(CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)C)=CC=CC1=[N+](CCCCS(=O)(=O)[O-])c2ccc(SOO[O-])cc2C1(C)C.CC1(C)C(C=C/C=C2/N(CCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCS(=O)(=O)[O-])c2ccc(SOO[O-])cc21.CC1(C)C(C=CC2=C(NCCS(=O)(=O)[O-])C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)CC2)=[N+](CCCCS(=O)(=O)[O-])c2ccc(SOO[O-])cc21.CC1(C)C(C=CC2=C(Nc3cc(SOO[O-])cc(S(=O)(=O)[O-])c3)C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)CC2)=[N+](CCCCS(=O)(=O)[O-])c2ccc(SOO[O-])cc21.[C-]#[N+]C(C(=O)NCCS(=O)(=O)[O-])C1=C(C=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc(SOO[O-])cc3C2(C)C)CCC1=C/C=C1/N(CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)C.[C-]#[N+]C(C(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-])C1=C(C=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc(SOO[O-])cc3C2(C)C)CCC1=C/C=C1/N(CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane?
The InChIKey is DHFLTVDDGFORRQ-IYNIYGEPSA-A. The full InChI is InChI=1S/C46H52N4O19S6.C43H51N3O18S6.C42H52N4O16S5.C39H51N3O15S5.C36H46N2O12S4.C27H32N2O12S4.2CH4.24Na/c1-45(2)34-26-31(70-69-68-52)14-17-37(34)49(22-6-8-24-71(53,54)55)40(45)20-12-29-10-11-30(42(29)43(47-5)44(51)48-36-28-33(74(62,63)64)16-19-39(36)75(65,66)67)13-21-41-46(3,4)35-27-32(73(59,60)61)15-18-38(35)50(41)23-7-9-25-72(56,57)58;1-42(2)35-26-31(65-63-61-47)13-15-37(35)45(19-5-7-21-67(49,50)51)39(42)17-11-28-9-10-29(41(28)44-30-23-32(66-64-62-48)25-34(24-30)70(58,59)60)12-18-40-43(3,4)36-27-33(69(55,56)57)14-16-38(36)46(40)20-6-8-22-68(52,53)54;1-41(2)32-26-30(63-62-61-48)14-16-34(32)45(21-6-8-23-64(49,50)51)36(41)18-12-28-10-11-29(38(28)39(43-5)40(47)44-20-25-66(55,56)57)13-19-37-42(3,4)33-27-31(67(58,59)60)15-17-35(33)46(37)22-7-9-24-65(52,53)54;1-38(2)31-25-29(58-57-56-43)13-15-33(31)41(20-5-7-22-59(44,45)46)35(38)17-11-27-9-10-28(37(27)40-19-24-61(50,51)52)12-18-36-39(3,4)32-26-30(62(53,54)55)14-16-34(32)42(36)21-6-8-23-60(47,48)49;1-26(12-10-14-33-35(2,3)29-24-27(51-50-49-39)16-18-31(29)37(33)20-6-8-22-52(40,41)42)13-11-15-34-36(4,5)30-25-28(54(46,47)48)17-19-32(30)38(34)21-7-9-23-53(43,44)45;1-26(2)20-16-18(42-41-40-30)8-10-22(20)28(12-14-43(31,32)33)24(26)6-5-7-25-27(3,4)21-17-19(45(37,38)39)9-11-23(21)29(25)13-15-44(34,35)36;;;;;;;;;;;;;;;;;;;;;;;;;;/h12-21,26-28,43H,6-11,22-25H2,1-4H3,(H6-,48,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67);11-18,23-27H,5-10,19-22H2,1-4H3,(H6,47,48,49,50,51,52,53,54,55,56,57,58,59,60);12-19,26-27,39H,6-11,20-25H2,1-4H3,(H5-,44,47,48,49,50,51,52,53,54,55,56,57,58,59,60);11-18,25-26H,5-10,19-24H2,1-4H3,(H5,43,44,45,46,47,48,49,50,51,52,53,54,55);10-19,24-25H,6-9,20-23H2,1-5H3,(H3-,39,40,41,42,43,44,45,46,47,48);5-11,16-17H,12-15H2,1-4H3,(H3-,30,31,32,33,34,35,36,37,38,39);2*1H4;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;24*+1/p-24/b;29-12?,40-18+;;28-12?,36-18+;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of tetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane?
tetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane has a molecular weight of 6330.53 g/mol, XLogP of -50.12, 118 rotatable bonds, 4 hydrogen bond donors, and 107 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosasodium;2-[[2-[2-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-5-[(2E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-2-ylidene]ethylidene]cyclopenten-1-yl]-2-isocyanoacetyl]amino]benzene-1,4-disulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[1-isocyano-2-oxo-2-(2-sulfonatoethylamino)ethyl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(3-oxidoperoxysulfanyl-5-sulfonatoanilino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-(2-sulfonatoethylamino)cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[7-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;(2E)-2-[3-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(2-sulfonatoethyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate;methane is sourced from PubChem (CID 159947239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).