potassium 4-[(2Z)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfonatobutyl)-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]-4-ethyl-hepta-2,4,6-trienylidene]-3,3-dimethyl-5-sulfo-indol-1-yl]butane-1-sulfonate

Systemtic Name: potassium 4-[(2Z)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfonatobutyl)-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]-4-ethyl-hepta-2,4,6-trienylidene]-3,3-dimethyl-5-sulfo-indol-1-yl]butane-1-sulfonate Openeye Name: potassium 4-[(2Z)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfonatobutyl)-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]-4-ethyl-hepta-2,4,6-trienylidene]-3,3-dimethyl-5-sulfo-indolin-1-yl]butane-1-sulfonate CAS Name: potassium 4-[(2Z)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfonatobutyl)-5-(trioxidanylthio)-2-indol-1-iumyl]-4-ethylhepta-2,4,6-trienylidene]-3,3-dimethyl-5-sulfo-1-indolyl]-1-butanesulfonate IUPAC Name: potassium 4-[(2Z)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfonatobutyl)-5-(trioxidanylsulfanyl)indol-1-ium-2-yl]-4-ethylhepta-2,4,6-trienylidene]-3,3-dimethyl-5-sulfoindol-1-yl]butane-1-sulfonate Traditional Name: potassium 4-[(2Z)-2-[(2E,4E,6E)-7-[3,3-dimethyl-1-(4-sulfonatobutyl)-5-(trioxidanylthio)indol-1-ium-2-yl]-4-ethyl-hepta-2,4,6-trienylidene]-3,3-dimethyl-5-sulfo-indolin-1-yl]butane-1-sulfonate Formula: C37H47KN2O12S4 MolecularWeight: 879.13358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC=CC1=[N+](C2=C(C1(C)C)C=C(C=C2)SOOO)CCCCS(=O)(=O)[O-])C=CC=C3C(C4=C(N3CCCCS(=O)(=O)[O-])C=CC(=C4)S(=O)(=O)O)(C)C.[K+]

Isomeric SMILES

CC/C(=C\C=C\C1=[N+](C2=C(C1(C)C)C=C(C=C2)SOOO)CCCCS(=O)(=O)[O-])/C=C/C=C\3/C(C4=C(N3CCCCS(=O)(=O)[O-])C=CC(=C4)S(=O)(=O)O)(C)C.[K+]

InChI

InChI=1S/C37H48N2O12S4.K/c1-6-27(13-11-15-34-36(2,3)30-25-28(52-51-50-40)17-19-32(30)38(34)21-7-9-23-53(41,42)43)14-12-16-35-37(4,5)31-26-29(55(47,48)49)18-20-33(31)39(35)22-8-10-24-54(44,45)46;/h11-20,25-26H,6-10,21-24H2,1-5H3,(H3-,40,41,42,43,44,45,46,47,48,49);/q;+1/p-1