Molecule ID: 92136140

IUPAC Name: disodium;6-amino-2-(3-carboxy-4-oxidophenyl)-1,3-dioxobenzo[de]isoquinoline-5-sulfonate

Description: The molecule is an organic sodium salt resulting from the formal condensation of Chrome fast yellow 8GL (acid form) with two equivalents of sodium hydroxide. It has a role as a fluorochrome and a histological dye. It contains a Chrome fast yellow 8GL(2-).

SMILES: Nc1c(S(=O)(=O)O)cc2c3c(cccc13)C(=O)N(c1ccc([O-])c(C(=O)[O-])c1)C2=O.[Na+].[Na+]

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

InChI: InChI=1S/C19H12N2O8S.2Na/c20-16-9-2-1-3-10-15(9)12(7-14(16)30(27,28)29)18(24)21(17(10)23)8-4-5-13(22)11(6-8)19(25)26;;/h1-7,22H,20H2,(H,25,26)(H,27,28,29);;/q;2*+1/p-2

Molecular Properties:
- Polar Surface Area: 189.0 Ų
- LogP: nan