(2Z)-1-[(4-methoxycarbonylphenyl)methyl]-2-[(2E,4E)-5-[1-[(4-methoxycarbonylphenyl)methyl]-3,3-dimethyl-5-sulfo-2H-indol-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-indole-5-sulfonic acid

Systemtic Name: (2Z)-1-[(4-methoxycarbonylphenyl)methyl]-2-[(2E,4E)-5-[1-[(4-methoxycarbonylphenyl)methyl]-3,3-dimethyl-5-sulfo-2H-indol-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-indole-5-sulfonic acid Openeye Name: (2Z)-1-[(4-methoxycarbonylphenyl)methyl]-2-[(2E,4E)-5-[1-[(4-methoxycarbonylphenyl)methyl]-3,3-dimethyl-5-sulfo-indolin-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-indoline-5-sulfonic acid CAS Name: (2Z)-1-[(4-methoxycarbonylphenyl)methyl]-2-[(2E,4E)-5-[1-[(4-methoxycarbonylphenyl)methyl]-3,3-dimethyl-5-sulfo-2H-indol-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-indolesulfonic acid IUPAC Name: (2Z)-1-[(4-methoxycarbonylphenyl)methyl]-2-[(2E,4E)-5-[1-[(4-methoxycarbonylphenyl)methyl]-3,3-dimethyl-5-sulfo-2H-indol-2-yl]penta-2,4-dienylidene]-3,3-dimethylindole-5-sulfonic acid Traditional Name: (2Z)-1-(4-carbomethoxybenzyl)-2-[(2E,4E)-5-[1-(4-carbomethoxybenzyl)-3,3-dimethyl-5-sulfo-indolin-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-indoline-5-sulfonic acid Formula: C43H44N2O10S2 MolecularWeight: 812.94686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C2=C1C=C(C=C2)S(=O)(=O)O)CC3=CC=C(C=C3)C(=O)OC)C=CC=CC=C4C(C5=C(N4CC6=CC=C(C=C6)C(=O)OC)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=C(C=C3)C(=O)OC)/C=C/C=C/C=C\4/C(C5=C(N4CC6=CC=C(C=C6)C(=O)OC)C=CC(=C5)S(=O)(=O)O)(C)C)C

InChI

InChI=1S/C43H44N2O10S2/c1-42(2)34-24-32(56(48,49)50)20-22-36(34)44(26-28-12-16-30(17-13-28)40(46)54-5)38(42)10-8-7-9-11-39-43(3,4)35-25-33(57(51,52)53)21-23-37(35)45(39)27-29-14-18-31(19-15-29)41(47)55-6/h7-25,38H,26-27H2,1-6H3,(H,48,49,50)(H,51,52,53)/b9-7+,10-8+,39-11-