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

Systemtic Name: 6-[(2Z)-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3-methyl-5-sulfo-1-(3-sulfopropyl)indol-3-yl]hexanoic acid Openeye Name: 6-[(2Z)-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3-methyl-5-sulfo-1-(3-sulfopropyl)indolin-3-yl]hexanoic acid CAS Name: 6-[(2Z)-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)-2-indol-1-iumyl]penta-2,4-dienylidene]-3-methyl-5-sulfo-1-(3-sulfopropyl)-3-indolyl]hexanoic acid IUPAC Name: 6-[(2Z)-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3-methyl-5-sulfo-1-(3-sulfopropyl)indol-3-yl]hexanoic acid Traditional Name: 6-[(2Z)-2-[(2E,4E)-5-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3-methyl-5-sulfo-1-(3-sulfopropyl)indolin-3-yl]hexanoic acid Formula: C36H47N2O14S4+ MolecularWeight: 860.02338

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1C=CC=CC=C3C(C4=C(N3CCCS(=O)(=O)O)C=CC(=C4)S(=O)(=O)O)(C)CCCCCC(=O)O)CCCS(=O)(=O)O)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1/C=C/C=C/C=C\3/C(C4=C(N3CCCS(=O)(=O)O)C=CC(=C4)S(=O)(=O)O)(C)CCCCCC(=O)O)CCCS(=O)(=O)O)C

InChI

InChI=1S/C36H46N2O14S4/c1-35(2)28-24-26(55(47,48)49)15-17-30(28)37(20-10-22-53(41,42)43)32(35)12-6-4-7-13-33-36(3,19-9-5-8-14-34(39)40)29-25-27(56(50,51)52)16-18-31(29)38(33)21-11-23-54(44,45)46/h4,6-7,12-13,15-18,24-25H,5,8-11,14,19-23H2,1-3H3,(H4-,39,40,41,42,43,44,45,46,47,48,49,50,51,52)/p+1