6-[(2Z)-2-[(2E,4E)-5-[1-[(3,5-dinitrophenyl)methyl]-3,3-dimethyl-1,2-dihydroindol-1-ium-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-1,2-dihydroindol-1-ium-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-indolin-1-ium-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-1,2-dihydroindol-1-ium-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-1,2-dihydroindol-1-ium-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-indolin-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-5-sulfo-indolin-1-yl]hexanoic acid Formula: C38H43N4O9S+ MolecularWeight: 731.83442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C([NH+](C2=CC=CC=C21)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([NH+](C2=CC=CC=C21)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/C38H42N4O9S/c1-37(2)30-13-10-11-14-32(30)40(25-26-21-27(41(45)46)23-28(22-26)42(47)48)35(37)16-8-5-7-15-34-38(3,4)31-24-29(52(49,50)51)18-19-33(31)39(34)20-12-6-9-17-36(43)44/h5,7-8,10-11,13-16,18-19,21-24,35H,6,9,12,17,20,25H2,1-4H3,(H,43,44)(H,49,50,51)/p+1/b7-5+,16-8+,34-15-