decasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide)

C170H200Cl2N8Na10O36S10+4 — CID 161026302

IUPACdecasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide)
SMILESCCCCC[N+]1=C(/C=C/C2=C(Cl)/C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccccc4C3(C)C)CCC2)C(C)(C)c2ccccc21.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CCCC(C=CC3=[N+](CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)=C1Oc1ccc(S(=O)(=O)[O-])cc1)N2CCCCCC(=O)O.O=S(=O)=O.O=S(=O)=O.[CH2-]CCCN1C(=CC=C2CCCC(C=CC3=[N+](CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)=C2c2ccc(C(=O)O)cc2)C(C)(C)c2cc(C)ccc21.[CH2-]CCCN1C(=CC=C2OCCC(C=CC3=[N+](CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)=C2Cl)C(C)(C)c2cc(C)ccc21.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C47H56N2O12S3.C46H54N2O8S2.C39H49ClN2O3S.C38H47ClN2O7S2.10Na.2O3S/c1-32-15-23-40-38(30-32)46(2,3)42(48(40)27-8-6-7-14-44(50)51)25-16-33-12-11-13-34(45(33)61-35-18-20-36(21-19-35)63(55,56)57)17-26-43-47(4,5)39-31-37(64(58,59)60)22-24-41(39)49(43)28-9-10-29-62(52,53)54;1-7-8-26-47-39-22-14-31(2)29-37(39)45(3,4)41(47)24-19-32-12-11-13-33(43(32)34-15-17-35(18-16-34)44(49)50)20-25-42-46(5,6)38-30-36(58(54,55)56)21-23-40(38)48(42)27-9-10-28-57(51,52)53;1-6-7-12-26-41-33-20-10-8-18-31(33)38(2,3)35(41)24-22-29-16-15-17-30(37(29)40)23-25-36-39(4,5)32-19-9-11-21-34(32)42(36)27-13-14-28-46(43,44)45;1-7-8-20-40-31-14-11-26(2)24-29(31)37(3,4)35(40)18-16-33-36(39)27(19-22-48-33)12-17-34-38(5,6)30-25-28(50(45,46)47)13-15-32(30)41(34)21-9-10-23-49(42,43)44;;;;;;;;;;;2*1-4(2)3/h15-26,30-31H,6-14,27-29H2,1-5H3,(H3-,50,51,52,53,54,55,56,57,58,59,60);14-25,29-30H,1,7-13,26-28H2,2-6H3,(H,49,50)(H,51,52,53)(H,54,55,56);8-11,18-25H,6-7,12-17,26-28H2,1-5H3;11-18,24-25H,1,7-10,19-23H2,2-6H3,(H,42,43,44)(H,45,46,47);;;;;;;;;;;;/q;;;;10*+1;;/p-6
InChIKeyNRBYQVHFRZXBLS-UHFFFAOYSA-H
MW3552.97 g/mol
LogP1.25
Rot. Bonds56

About decasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide)

decasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide) (PubChem CID 161026302) has the molecular formula C170H200Cl2N8Na10O36S10+4 and a molecular weight of 3552.97 g/mol. Its IUPAC name is decasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide).

Molecular Properties

Compound Namedecasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide)
PubChem CID161026302
Molecular FormulaC170H200Cl2N8Na10O36S10+4
Molecular Weight3552.97 g/mol
Exact Mass3548.96
IUPAC Namedecasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide)
SMILESCCCCC[N+]1=C(/C=C/C2=C(Cl)/C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccccc4C3(C)C)CCC2)C(C)(C)c2ccccc21.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CCCC(C=CC3=[N+](CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)=C1Oc1ccc(S(=O)(=O)[O-])cc1)N2CCCCCC(=O)O.O=S(=O)=O.O=S(=O)=O.[CH2-]CCCN1C(=CC=C2CCCC(C=CC3=[N+](CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)=C2c2ccc(C(=O)O)cc2)C(C)(C)c2cc(C)ccc21.[CH2-]CCCN1C(=CC=C2OCCC(C=CC3=[N+](CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)=C2Cl)C(C)(C)c2cc(C)ccc21.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C47H56N2O12S3.C46H54N2O8S2.C39H49ClN2O3S.C38H47ClN2O7S2.10Na.2O3S/c1-32-15-23-40-38(30-32)46(2,3)42(48(40)27-8-6-7-14-44(50)51)25-16-33-12-11-13-34(45(33)61-35-18-20-36(21-19-35)63(55,56)57)17-26-43-47(4,5)39-31-37(64(58,59)60)22-24-41(39)49(43)28-9-10-29-62(52,53)54;1-7-8-26-47-39-22-14-31(2)29-37(39)45(3,4)41(47)24-19-32-12-11-13-33(43(32)34-15-17-35(18-16-34)44(49)50)20-25-42-46(5,6)38-30-36(58(54,55)56)21-23-40(38)48(42)27-9-10-28-57(51,52)53;1-6-7-12-26-41-33-20-10-8-18-31(33)38(2,3)35(41)24-22-29-16-15-17-30(37(29)40)23-25-36-39(4,5)32-19-9-11-21-34(32)42(36)27-13-14-28-46(43,44)45;1-7-8-20-40-31-14-11-26(2)24-29(31)37(3,4)35(40)18-16-33-36(39)27(19-22-48-33)12-17-34-38(5,6)30-25-28(50(45,46)47)13-15-32(30)41(34)21-9-10-23-49(42,43)44;;;;;;;;;;;2*1-4(2)3/h15-26,30-31H,6-14,27-29H2,1-5H3,(H3-,50,51,52,53,54,55,56,57,58,59,60);14-25,29-30H,1,7-13,26-28H2,2-6H3,(H,49,50)(H,51,52,53)(H,54,55,56);8-11,18-25H,6-7,12-17,26-28H2,1-5H3;11-18,24-25H,1,7-10,19-23H2,2-6H3,(H,42,43,44)(H,45,46,47);;;;;;;;;;;;/q;;;;10*+1;;/p-6
InChIKeyNRBYQVHFRZXBLS-UHFFFAOYSA-H
XLogP1.25
TPSA678.08 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds56
Heavy Atoms236
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003552.97
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Analyze decasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of decasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide)?
The IUPAC name of decasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide) (CID 161026302) is decasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide).
What is the SMILES notation for decasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide)?
The canonical SMILES for decasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide) is CCCCC[N+]1=C(/C=C/C2=C(Cl)/C(=C/C=C3/N(CCCCS(=O)(=O)[O-])c4ccccc4C3(C)C)CCC2)C(C)(C)c2ccccc21.Cc1ccc2c(c1)C(C)(C)C(=CC=C1CCCC(C=CC3=[N+](CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)=C1Oc1ccc(S(=O)(=O)[O-])cc1)N2CCCCCC(=O)O.O=S(=O)=O.O=S(=O)=O.[CH2-]CCCN1C(=CC=C2CCCC(C=CC3=[N+](CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)=C2c2ccc(C(=O)O)cc2)C(C)(C)c2cc(C)ccc21.[CH2-]CCCN1C(=CC=C2OCCC(C=CC3=[N+](CCCCS(=O)(=O)[O-])c4ccc(S(=O)(=O)[O-])cc4C3(C)C)=C2Cl)C(C)(C)c2cc(C)ccc21.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of decasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide)?
The InChIKey is NRBYQVHFRZXBLS-UHFFFAOYSA-H. The full InChI is InChI=1S/C47H56N2O12S3.C46H54N2O8S2.C39H49ClN2O3S.C38H47ClN2O7S2.10Na.2O3S/c1-32-15-23-40-38(30-32)46(2,3)42(48(40)27-8-6-7-14-44(50)51)25-16-33-12-11-13-34(45(33)61-35-18-20-36(21-19-35)63(55,56)57)17-26-43-47(4,5)39-31-37(64(58,59)60)22-24-41(39)49(43)28-9-10-29-62(52,53)54;1-7-8-26-47-39-22-14-31(2)29-37(39)45(3,4)41(47)24-19-32-12-11-13-33(43(32)34-15-17-35(18-16-34)44(49)50)20-25-42-46(5,6)38-30-36(58(54,55)56)21-23-40(38)48(42)27-9-10-28-57(51,52)53;1-6-7-12-26-41-33-20-10-8-18-31(33)38(2,3)35(41)24-22-29-16-15-17-30(37(29)40)23-25-36-39(4,5)32-19-9-11-21-34(32)42(36)27-13-14-28-46(43,44)45;1-7-8-20-40-31-14-11-26(2)24-29(31)37(3,4)35(40)18-16-33-36(39)27(19-22-48-33)12-17-34-38(5,6)30-25-28(50(45,46)47)13-15-32(30)41(34)21-9-10-23-49(42,43)44;;;;;;;;;;;2*1-4(2)3/h15-26,30-31H,6-14,27-29H2,1-5H3,(H3-,50,51,52,53,54,55,56,57,58,59,60);14-25,29-30H,1,7-13,26-28H2,2-6H3,(H,49,50)(H,51,52,53)(H,54,55,56);8-11,18-25H,6-7,12-17,26-28H2,1-5H3;11-18,24-25H,1,7-10,19-23H2,2-6H3,(H,42,43,44)(H,45,46,47);;;;;;;;;;;;/q;;;;10*+1;;/p-6.
What are the key properties of decasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide)?
decasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide) has a molecular weight of 3552.97 g/mol, XLogP of 1.25, 56 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for decasodium;2-[2-[3-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-2-(4-carboxyphenyl)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[6-[2-(1-butyl-3,3,5-trimethylindol-2-ylidene)ethylidene]-5-chloro-2,3-dihydropyran-4-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;2-[2-[3-[2-[1-(5-carboxypentyl)-3,3,5-trimethylindol-2-ylidene]ethylidene]-2-(4-sulfonatophenoxy)cyclohexen-1-yl]ethenyl]-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-5-sulfonate;4-[(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-pentylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate;bis(sulfur trioxide) is sourced from PubChem (CID 161026302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).