6-[(2Z)-2-[(2E,4E)-5-[1-[(3,5-dinitrophenyl)methyl]-3,3-dimethyl-5-sulfo-2H-indol-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfo-indol-1-yl]hexanoic acid

Systemtic Name: 6-[(2Z)-2-[(2E,4E)-5-[1-[(3,5-dinitrophenyl)methyl]-3,3-dimethyl-5-sulfo-2H-indol-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfo-indol-1-yl]hexanoic acid Openeye Name: 6-[(2Z)-2-[(2E,4E)-5-[1-[(3,5-dinitrophenyl)methyl]-3,3-dimethyl-5-sulfo-indolin-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfo-indolin-1-yl]hexanoic acid CAS Name: 6-[(2Z)-2-[(2E,4E)-5-[1-[(3,5-dinitrophenyl)methyl]-3,3-dimethyl-5-sulfo-2H-indol-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfo-1-indolyl]hexanoic acid IUPAC Name: 6-[(2Z)-2-[(2E,4E)-5-[1-[(3,5-dinitrophenyl)methyl]-3,3-dimethyl-5-sulfo-2H-indol-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoic acid Traditional Name: 6-[(2Z)-2-[(2E,4E)-5-[1-(3,5-dinitrobenzyl)-3,3-dimethyl-5-sulfo-indolin-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfo-indolin-1-yl]hexanoic acid Formula: C38H42N4O12S2 MolecularWeight: 810.88968

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C2=C1C=C(C=C2)S(=O)(=O)O)CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C=CC=CC=C4C(C5=C(N4CCCCCC(=O)O)C=CC(=C5)S(=O)(=O)O)(C)C)C

Isomeric SMILES

CC1(C(N(C2=C1C=C(C=C2)S(=O)(=O)O)CC3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])/C=C/C=C/C=C\4/C(C5=C(N4CCCCCC(=O)O)C=CC(=C5)S(=O)(=O)O)(C)C)C

InChI

InChI=1S/C38H42N4O12S2/c1-37(2)30-22-28(55(49,50)51)14-16-32(30)39(18-10-6-9-13-36(43)44)34(37)11-7-5-8-12-35-38(3,4)31-23-29(56(52,53)54)15-17-33(31)40(35)24-25-19-26(41(45)46)21-27(20-25)42(47)48/h5,7-8,11-12,14-17,19-23,35H,6,9-10,13,18,24H2,1-4H3,(H,43,44)(H,49,50,51)(H,52,53,54)/b7-5+,12-8+,34-11-