Indomonocarbocyanine
[CAS# 50354-01-3]

Identification

• Name: Indomonocarbocyanine
• Synonyms: 4-[2-[(E,3Z)-3-[3,3-Dimethyl-1-(4-Sulfobutyl)Indolin-2-Ylidene]Prop-1-Enyl]-3,3-Dimethyl-Indol-1-Ium-1-Yl]Butane-1-Sulfonate; 4-[2-[(E,3Z)-3-[3,3-Dimethyl-1-(4-Sulfobutyl)-2-Indolinylidene]Prop-1-Enyl]-3,3-Dimethyl-1-Indol-1-Iumyl]Butane-1-Sulfonate; 4-[2-[(E,3Z)-3-[3,3-Dimethyl-1-(4-Sulfobutyl)Indol-2-Ylidene]Prop-1-Enyl]-3,3-Dimethyl-Indol-1-Ium-1-Yl]Butane-1-Sulfonate
• Molecular Formula: C₃₁H₄₀N₂O₆S₂
• Molecular Weight: 600.79
• CAS Registry Number: 50354-01-3
• SMILES: C1=CC=CC2=C1C(C(=[N+]2CCCC[S]([O-])(=O)=O)C=CC=C3N(C4=C(C3(C)C)C=CC=C4)CCCC[S](=O)(=O)O)(C)C
• InChI: 1S/C31H40N2O6S2/c1-30(2)24-14-5-7-16-26(24)32(20-9-11-22-40(34,35)36)28(30)18-13-19-29-31(3,4)25-15-6-8-17-27(25)33(29)21-10-12-23-41(37,38)39/h5-8,13-19H,9-12,20-23H2,1-4H3,(H-,34,35,36,37,38,39)
• InChIKey: ZXICIFDEGMIMJY-UHFFFAOYSA-N