docosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane

C231H298N16Na22O88S28 — CID 162234206

IUPACdocosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane
SMILESC.C.C.C.C.C.CC1(C)C(=CC=CC2=[N+](CCCS(=O)(=O)[O-])c3ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc3C2(C)C)N(CCCS(=O)(=O)[O-])c2ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc21.CC1(C)C(=CC=CC2=[N+](CCCS(=O)(=O)[O-])c3ccc(OCCCS(=O)(=O)[O-])cc3C2(C)C)N(CCCS(=O)(=O)[O-])c2ccc(OCCCSOO[O-])cc21.CC1(C)C(=CC=CC2=[N+](CCS(=O)(=O)[O-])c3ccc(S(=O)(=O)CCS(=O)(=O)[O-])cc3C2(C)C)N(CCS(=O)(=O)[O-])c2ccc(CS(=O)(=O)CS(=O)(=O)[O-])cc21.CC1(C)C(C=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(C(=O)[O-])cc21.CC1(C)CC(=CC=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C=C(C=C2N(CCCCS(=O)(=O)[O-])c3ccc(SOO[O-])cc3C2(C)C)C1.CCOC1NN(c2ccc(SOO[O-])cc2)C([O-])=C1C1=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+]
InChIInChI=1S/C48H58N4O17S5.C41H62N4O18S6.C40H52N2O12S4.C35H48N2O14S4.C31H40N2O16S6.C30H36N2O11S3.6CH4.22Na/c1-6-65-45-44(46(53)52(49-45)33-15-17-34(18-16-33)70-68-66-54)43-31(13-23-41-47(2,3)37-29-35(71-69-67-55)19-21-39(37)50(41)25-7-9-27-72(56,57)58)11-12-32(43)14-24-42-48(4,5)38-30-36(74(62,63)64)20-22-40(38)51(42)26-8-10-28-73(59,60)61;1-40(2)34-30-32(42(18-6-24-64(46,47)48)19-7-25-65(49,50)51)14-16-36(34)44(22-10-28-68(58,59)60)38(40)12-5-13-39-41(3,4)35-31-33(15-17-37(35)45(39)23-11-29-69(61,62)63)43(20-8-26-66(52,53)54)21-9-27-67(55,56)57;1-38(2)26-28(12-11-13-36-39(3,4)33-25-31(58(50,51)52)15-17-35(33)41(36)18-7-9-20-56(44,45)46)22-29(27-38)23-37-40(5,6)32-24-30(55-54-53-43)14-16-34(32)42(37)19-8-10-21-57(47,48)49;1-34(2)28-24-26(48-18-8-20-52-51-50-38)12-14-30(28)36(16-6-21-53(39,40)41)32(34)10-5-11-33-35(3,4)29-25-27(49-19-9-23-55(45,46)47)13-15-31(29)37(33)17-7-22-54(42,43)44;1-30(2)24-18-22(20-50(34,35)21-55(47,48)49)8-10-26(24)32(12-14-52(38,39)40)28(30)6-5-7-29-31(3,4)25-19-23(51(36,37)16-17-54(44,45)46)9-11-27(25)33(29)13-15-53(41,42)43;1-29(2)22-18-20(28(33)34)10-12-24(22)31(14-6-16-44(35,36)37)26(29)8-5-9-27-30(3,4)23-19-21(46(41,42)43)11-13-25(23)32(27)15-7-17-45(38,39)40;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h13-24,29-30,45,49,54-55H,6-12,25-28H2,1-5H3,(H,56,57,58)(H,59,60,61)(H,62,63,64);5,12-17,30-31H,6-11,18-29H2,1-4H3,(H5-,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);11-17,22-25H,7-10,18-21,26-27H2,1-6H3,(H3-,43,44,45,46,47,48,49,50,51,52);5,10-15,24-25H,6-9,16-23H2,1-4H3,(H3-,38,39,40,41,42,43,44,45,46,47);5-11,18-19H,12-17,20-21H2,1-4H3,(H3-,38,39,40,41,42,43,44,45,46,47,48,49);5,8-13,18-19H,6-7,14-17H2,1-4H3,(H3-,33,34,35,36,37,38,39,40,41,42,43);6*1H4;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;22*+1/p-22/b32-14?,42-24+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyMTHQCZSZWUSKBK-DOHYDVTLSA-A
MW6110.61 g/mol
LogP-45.83
Rot. Bonds119

About docosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane

docosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane (PubChem CID 162234206) has the molecular formula C231H298N16Na22O88S28 and a molecular weight of 6110.61 g/mol. Its IUPAC name is docosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane.

Molecular Properties

Compound Namedocosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane
PubChem CID162234206
Molecular FormulaC231H298N16Na22O88S28
Molecular Weight6110.61 g/mol
Exact Mass6104.93
IUPAC Namedocosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane
SMILESC.C.C.C.C.C.CC1(C)C(=CC=CC2=[N+](CCCS(=O)(=O)[O-])c3ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc3C2(C)C)N(CCCS(=O)(=O)[O-])c2ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc21.CC1(C)C(=CC=CC2=[N+](CCCS(=O)(=O)[O-])c3ccc(OCCCS(=O)(=O)[O-])cc3C2(C)C)N(CCCS(=O)(=O)[O-])c2ccc(OCCCSOO[O-])cc21.CC1(C)C(=CC=CC2=[N+](CCS(=O)(=O)[O-])c3ccc(S(=O)(=O)CCS(=O)(=O)[O-])cc3C2(C)C)N(CCS(=O)(=O)[O-])c2ccc(CS(=O)(=O)CS(=O)(=O)[O-])cc21.CC1(C)C(C=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(C(=O)[O-])cc21.CC1(C)CC(=CC=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C=C(C=C2N(CCCCS(=O)(=O)[O-])c3ccc(SOO[O-])cc3C2(C)C)C1.CCOC1NN(c2ccc(SOO[O-])cc2)C([O-])=C1C1=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+]
InChIInChI=1S/C48H58N4O17S5.C41H62N4O18S6.C40H52N2O12S4.C35H48N2O14S4.C31H40N2O16S6.C30H36N2O11S3.6CH4.22Na/c1-6-65-45-44(46(53)52(49-45)33-15-17-34(18-16-33)70-68-66-54)43-31(13-23-41-47(2,3)37-29-35(71-69-67-55)19-21-39(37)50(41)25-7-9-27-72(56,57)58)11-12-32(43)14-24-42-48(4,5)38-30-36(74(62,63)64)20-22-40(38)51(42)26-8-10-28-73(59,60)61;1-40(2)34-30-32(42(18-6-24-64(46,47)48)19-7-25-65(49,50)51)14-16-36(34)44(22-10-28-68(58,59)60)38(40)12-5-13-39-41(3,4)35-31-33(15-17-37(35)45(39)23-11-29-69(61,62)63)43(20-8-26-66(52,53)54)21-9-27-67(55,56)57;1-38(2)26-28(12-11-13-36-39(3,4)33-25-31(58(50,51)52)15-17-35(33)41(36)18-7-9-20-56(44,45)46)22-29(27-38)23-37-40(5,6)32-24-30(55-54-53-43)14-16-34(32)42(37)19-8-10-21-57(47,48)49;1-34(2)28-24-26(48-18-8-20-52-51-50-38)12-14-30(28)36(16-6-21-53(39,40)41)32(34)10-5-11-33-35(3,4)29-25-27(49-19-9-23-55(45,46)47)13-15-31(29)37(33)17-7-22-54(42,43)44;1-30(2)24-18-22(20-50(34,35)21-55(47,48)49)8-10-26(24)32(12-14-52(38,39)40)28(30)6-5-7-29-31(3,4)25-19-23(51(36,37)16-17-54(44,45)46)9-11-27(25)33(29)13-15-53(41,42)43;1-29(2)22-18-20(28(33)34)10-12-24(22)31(14-6-16-44(35,36)37)26(29)8-5-9-27-30(3,4)23-19-21(46(41,42)43)11-13-25(23)32(27)15-7-17-45(38,39)40;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h13-24,29-30,45,49,54-55H,6-12,25-28H2,1-5H3,(H,56,57,58)(H,59,60,61)(H,62,63,64);5,12-17,30-31H,6-11,18-29H2,1-4H3,(H5-,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);11-17,22-25H,7-10,18-21,26-27H2,1-6H3,(H3-,43,44,45,46,47,48,49,50,51,52);5,10-15,24-25H,6-9,16-23H2,1-4H3,(H3-,38,39,40,41,42,43,44,45,46,47);5-11,18-19H,12-17,20-21H2,1-4H3,(H3-,38,39,40,41,42,43,44,45,46,47,48,49);5,8-13,18-19H,6-7,14-17H2,1-4H3,(H3-,33,34,35,36,37,38,39,40,41,42,43);6*1H4;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;22*+1/p-22/b32-14?,42-24+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyMTHQCZSZWUSKBK-DOHYDVTLSA-A
XLogP-45.83
TPSA1642.89 Ų
H-Bond Donors1
H-Bond Acceptors102
Rotatable Bonds119
Heavy Atoms385
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5006110.61
LogP ≤ 5-45.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 10102

Analyze docosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane with MolForge

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Related Compounds

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
hexacosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-1-yl]propane-1-sulfonate;2-[3-[1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]prop-1-enyl]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-7-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(3-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(3-sulfobutyl)benzo[e]indole-9-sulfonate;2-[3-[1,1-dimethyl-9-oxidoperoxysulfanyl-7-sulfonato-3-(4-sulfonatobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-7-oxidoperoxysulfanyl-3-(4-sulfobutyl)benzo[e]indole-9-sulfonate;(2E)-2-[3-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-3-ium-2-yl]prop-2-enylidene]-1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indole-7-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-carboxylate
CID 158970014
(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
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-[(E,3Z)-3-[3,3-dimethyl-5-(oxidooxymethyl)-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate
CID 59100596
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
potassium 3-[2-[(E)-2-[(3E)-3-[(2E)-2-[5-[(5,5-dimethyl-4-oxohexyl)-methylsulfamoyl]-3,3-dimethyl-1-[3-(trioxidanylsulfanyl)propyl]indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-3,3-dimethyl-5-oxidoperoxysulfanylindol-1-ium-1-yl]propane-1-sulfonate
CID 59399992
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
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
dodecasodium;3-[5-[bis(3-oxidoperoxysulfanylpropyl)amino]-2-[2-[2-chloro-3-[2-[3-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;2-[2-[3-[2-[5-[bis(3-oxidoperoxysulfanylpropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-1,1-dimethylbenzo[e]indol-3-ium-7-sulfonate;2-[2-[3-[2-[5-[bis(3-oxidoperoxysulfanylpropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-2-ylidene]ethylidene]-2-chlorocyclohexen-1-yl]ethenyl]-3-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-1,1-dimethyl-8-oxidoperoxysulfanylbenzo[e]indol-3-ium-6-sulfonate
CID 161410385
trisodium;(2E)-2-[(2E)-2-[2-(3-butoxy-2,6-difluorophenyl)-3-[(E)-2-[3,3-dimethyl-5-sulfonato-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate
CID 140558945
(2E)-2-[(2E,4E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
CID 59408367

Frequently Asked Questions

What is the IUPAC name of docosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane?
The IUPAC name of docosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane (CID 162234206) is docosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane.
What is the SMILES notation for docosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane?
The canonical SMILES for docosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane is C.C.C.C.C.C.CC1(C)C(=CC=CC2=[N+](CCCS(=O)(=O)[O-])c3ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc3C2(C)C)N(CCCS(=O)(=O)[O-])c2ccc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])cc21.CC1(C)C(=CC=CC2=[N+](CCCS(=O)(=O)[O-])c3ccc(OCCCS(=O)(=O)[O-])cc3C2(C)C)N(CCCS(=O)(=O)[O-])c2ccc(OCCCSOO[O-])cc21.CC1(C)C(=CC=CC2=[N+](CCS(=O)(=O)[O-])c3ccc(S(=O)(=O)CCS(=O)(=O)[O-])cc3C2(C)C)N(CCS(=O)(=O)[O-])c2ccc(CS(=O)(=O)CS(=O)(=O)[O-])cc21.CC1(C)C(C=C/C=C2/N(CCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCS(=O)(=O)[O-])c2ccc(C(=O)[O-])cc21.CC1(C)CC(=CC=CC2=[N+](CCCCS(=O)(=O)[O-])c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C=C(C=C2N(CCCCS(=O)(=O)[O-])c3ccc(SOO[O-])cc3C2(C)C)C1.CCOC1NN(c2ccc(SOO[O-])cc2)C([O-])=C1C1=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+].
What is the InChIKey of docosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane?
The InChIKey is MTHQCZSZWUSKBK-DOHYDVTLSA-A. The full InChI is InChI=1S/C48H58N4O17S5.C41H62N4O18S6.C40H52N2O12S4.C35H48N2O14S4.C31H40N2O16S6.C30H36N2O11S3.6CH4.22Na/c1-6-65-45-44(46(53)52(49-45)33-15-17-34(18-16-33)70-68-66-54)43-31(13-23-41-47(2,3)37-29-35(71-69-67-55)19-21-39(37)50(41)25-7-9-27-72(56,57)58)11-12-32(43)14-24-42-48(4,5)38-30-36(74(62,63)64)20-22-40(38)51(42)26-8-10-28-73(59,60)61;1-40(2)34-30-32(42(18-6-24-64(46,47)48)19-7-25-65(49,50)51)14-16-36(34)44(22-10-28-68(58,59)60)38(40)12-5-13-39-41(3,4)35-31-33(15-17-37(35)45(39)23-11-29-69(61,62)63)43(20-8-26-66(52,53)54)21-9-27-67(55,56)57;1-38(2)26-28(12-11-13-36-39(3,4)33-25-31(58(50,51)52)15-17-35(33)41(36)18-7-9-20-56(44,45)46)22-29(27-38)23-37-40(5,6)32-24-30(55-54-53-43)14-16-34(32)42(37)19-8-10-21-57(47,48)49;1-34(2)28-24-26(48-18-8-20-52-51-50-38)12-14-30(28)36(16-6-21-53(39,40)41)32(34)10-5-11-33-35(3,4)29-25-27(49-19-9-23-55(45,46)47)13-15-31(29)37(33)17-7-22-54(42,43)44;1-30(2)24-18-22(20-50(34,35)21-55(47,48)49)8-10-26(24)32(12-14-52(38,39)40)28(30)6-5-7-29-31(3,4)25-19-23(51(36,37)16-17-54(44,45)46)9-11-27(25)33(29)13-15-53(41,42)43;1-29(2)22-18-20(28(33)34)10-12-24(22)31(14-6-16-44(35,36)37)26(29)8-5-9-27-30(3,4)23-19-21(46(41,42)43)11-13-25(23)32(27)15-7-17-45(38,39)40;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h13-24,29-30,45,49,54-55H,6-12,25-28H2,1-5H3,(H,56,57,58)(H,59,60,61)(H,62,63,64);5,12-17,30-31H,6-11,18-29H2,1-4H3,(H5-,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);11-17,22-25H,7-10,18-21,26-27H2,1-6H3,(H3-,43,44,45,46,47,48,49,50,51,52);5,10-15,24-25H,6-9,16-23H2,1-4H3,(H3-,38,39,40,41,42,43,44,45,46,47);5-11,18-19H,12-17,20-21H2,1-4H3,(H3-,38,39,40,41,42,43,44,45,46,47,48,49);5,8-13,18-19H,6-7,14-17H2,1-4H3,(H3-,33,34,35,36,37,38,39,40,41,42,43);6*1H4;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;22*+1/p-22/b32-14?,42-24+;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of docosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane?
docosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane has a molecular weight of 6110.61 g/mol, XLogP of -45.83, 119 rotatable bonds, 1 hydrogen bond donors, and 102 hydrogen bond acceptors.
Where does this data come from?
All data for docosasodium;3-[5-[bis(3-sulfonatopropyl)amino]-2-[3-[5-[bis(3-sulfonatopropyl)amino]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate;(2E)-2-[2-[3-[2-[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]ethenyl]-2-[5-ethoxy-3-oxido-2-(4-oxidoperoxysulfanylphenyl)-1,5-dihydropyrazol-4-yl]cyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(4-sulfonatobutyl)indole-5-sulfonate;2-[3-[3-[[3,3-dimethyl-5-oxidoperoxysulfanyl-1-(4-sulfonatobutyl)indol-2-ylidene]methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[3,3-dimethyl-1-(2-sulfonatoethyl)-5-(2-sulfonatoethylsulfonyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(sulfonatomethylsulfonylmethyl)indol-1-yl]ethanesulfonate;3-[2-[3-[3,3-dimethyl-5-(3-sulfonatopropoxy)-1-(3-sulfonatopropyl)indol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethyl-5-(3-oxidoperoxysulfanylpropoxy)indol-1-yl]propane-1-sulfonate;2-[(3E)-3-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfonatopropyl)indol-1-ium-5-carboxylate;methane is sourced from PubChem (CID 162234206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).