2-[3-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfoindol-2-ylidene)prop-1-en-1-yl]-1-ethyl-3,3-dimethyl-5-sulfoindol-1-ium

CAS: 146368-16-3

Formula: C35H42N3O10S2

SMILES: CC[N+]1=C(C=CC=C2N(CCCCCC(=O)ON3C(=O)CCC3=O)C3=C(C=C(C=C3)S(O)(=O)=O)C2(C)C)C(C)(C)C2=CC(=CC=C12)S(O)(=O)=O

IUPAC: 2-[3-(1-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-3,3-dimethyl-5-sulfo-2,3-dihydro-1H-indol-2-ylidene)prop-1-en-1-yl]-1-ethyl-3,3-dimethyl-5-sulfo-3H-indol-1-ium

InChI: InChI=1S/C35H41N3O10S2/c1-6-36-27-16-14-23(49(42,43)44)21-25(27)34(2,3)29(36)11-10-12-30-35(4,5)26-22-24(50(45,46)47)15-17-28(26)37(30)20-9-7-8-13-33(41)48-38-31(39)18-19-32(38)40/h10-12,14-17,21-22H,6-9,13,18-20H2,1-5H3,(H-,42,43,44,45,46,47)/p+1

Composition: C (57.68%), H (5.81%), N (5.77%), O (21.95%), S (8.80%)

Molar Mass: 728.85

Atom Count: 92

Heavy Atom Count: 50