Molecule ID: 92136139

IUPAC Name: 5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzenesulfonate

Description: The molecule is an organosulfonate oxoanion obtained by deprotonation of the sulfo group of 5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzene-1-sulfonic acid. It is a conjugate base of a Sirius scarlet GG (acid form).

SMILES: COc1cc(N=Nc2ccc(OC)c(S(=O)(=O)[O-])c2)c(C)cc1N

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

InChI: InChI=1S/C15H17N3O5S/c1-9-6-11(16)14(23-3)8-12(9)18-17-10-4-5-13(22-2)15(7-10)24(19,20)21/h4-8H,16H2,1-3H3,(H,19,20,21)/p-1

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: 2.0