Molecule ID: 2723854

IUPAC Name: disodium;2-(3-hydroxy-5-sulfonato-1H-indol-2-yl)-3-oxoindole-5-sulfonate

Description: The molecule is an organic sodium salt resulting from the formal condensation of indigo carmine (acid form) with two equivalents of sodium hydroxide. It is an indicator at pH 11.5-14, changing from blue to yellow. It has a role as a food colouring, a histological dye and a two-colour indicator. It contains an indigo carmine(2-).

SMILES: O=C1C(c2[nH]c3ccc(S(=O)(=O)[O-])cc3c2[O-])=Nc2ccc(S(=O)(=O)O)cc21.[Na+].[Na+]

SELFIES: [O][=C][C][Branch2][Ring1][=Branch2][C][NH1][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][=Ring1][=N][O-1][=N][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][Ring2][Ring1][O].[Na+1].[Na+1]

InChI: InChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17,19H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2

Molecular Properties:
- Polar Surface Area: 197.0 Ų
- LogP: nan