Molecule ID: 135955598

IUPAC Name: 2-[(1E,3E,5E,7Z)-4-methyl-7-[5-sulfo-1-(2-sulfoethyl)-3H-indol-2-ylidene]hepta-1,3,5-trienyl]-1-(2-sulfoethyl)-3H-indol-1-ium-5-sulfonate

Description: The molecule is a C7-cyanine dye having symmetrically-substituted 2-indolyl units at each end. It has a role as a fluorochrome. It derives from a C7-indocyanine.

SMILES: CC(C=CC=C1Cc2cc(S(=O)(=O)[O-])ccc2N1CCS(=O)(=O)O)=CC=CC1=[N+](CCS(=O)(=O)O)c2ccc(S(=O)(=O)O)cc2C1

SELFIES: [C][C][Branch2][Ring2][Branch1][C][=C][C][=C][C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][=C][C][=C][Ring1][#Branch2][N][Ring1][=N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][C][=C][C][=N+1][Branch1][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1]

InChI: InChI=1S/C28H30N2O12S4/c1-20(4-2-6-23-16-21-18-25(45(37,38)39)8-10-27(21)29(23)12-14-43(31,32)33)5-3-7-24-17-22-19-26(46(40,41)42)9-11-28(22)30(24)13-15-44(34,35)36/h2-11,18-19H,12-17H2,1H3,(H3-,31,32,33,34,35,36,37,38,39,40,41,42)

Molecular Properties:
- Polar Surface Area: 260.0 Ų
- LogP: 0.9