HIT ID: HIT218847639
Cas No: 12220-06-3
分子式: C26H21N4NaO8S2
分子量: 604.58
常用名: C.I. Acid orange 67
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium 4-({4-[(1E)-2-{2-methyl-4-[(4-methylbenzenesulfonyl)oxy]phenyl}diazen-1-yl]phenyl}amino)-3-nitrobenzene-1-sulfonate
IUPAC: sodium 4-({4-[(1E)-2-{2-methyl-4-[(4-methylbenzenesulfonyl)oxy]phenyl}diazen-1-yl]phenyl}amino)-3-nitrobenzene-1-sulfonate
SMILES: [Na+].Cc1ccc(cc1)S(=O)(=O)Oc1ccc(\N=N\c2ccc(Nc3ccc(cc3[N+]([O-])=O)S([O-])(=O)=O)cc2)c(C)c1
SMILES: [Na+].Cc1ccc(cc1)S(=O)(=O)Oc1ccc(\N=N\c2ccc(Nc3ccc(cc3[N+]([O-])=O)S([O-])(=O)=O)cc2)c(C)c1
InChI key: RRJQRNUKACWUFD-IRWWKPKRSA-M
