HIT ID: HIT218847635
Cas No: 6428-26-8
分子式: C30H23N12Na3O9S3
分子量: 860.74
常用名: C.I. Acid brown 120
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: trisodium 2,4-bis[(1E)-2-{2,4-diamino-5-[(1E)-2-(3-sulfonatophenyl)diazen-1-yl]phenyl}diazen-1-yl]benzene-1-sulfonate
IUPAC: trisodium 2,4-bis[(1E)-2-{2,4-diamino-5-[(1E)-2-(3-sulfonatophenyl)diazen-1-yl]phenyl}diazen-1-yl]benzene-1-sulfonate
SMILES: [Na+].[Na+].[Na+].Nc1cc(N)c(cc1\N=N\c1ccc(c(c1)\N=N\c1cc(\N=N\c2cccc(c2)S([O-])(=O)=O)c(N)cc1N)S([O-])(=O)=O)\N=N\c1cccc(c1)S([O-])(=O)=O
SMILES: [Na+].[Na+].[Na+].Nc1cc(N)c(cc1\N=N\c1ccc(c(c1)\N=N\c1cc(\N=N\c2cccc(c2)S([O-])(=O)=O)c(N)cc1N)S([O-])(=O)=O)\N=N\c1cccc(c1)S([O-])(=O)=O
InChI key: FNMUSJRVXAQLRS-ALCONERPSA-K