HIT ID: HIT214315218
Cas No: 22244-14-0
分子式: C34H27N9O7S2
分子量: 737.77
常用名: Direct Black 38 free acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4-amino-3-(2-{4'-[2-(2,4-diaminophenyl)diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl)-5-hydroxy-6-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonic acid
IUPAC: 4-amino-3-(2-{4'-[2-(2,4-diaminophenyl)diazen-1-yl]-[1,1'-biphenyl]-4-yl}diazen-1-yl)-5-hydroxy-6-(2-phenyldiazen-1-yl)naphthalene-2,7-disulfonic acid
SMILES: Nc1ccc(N=Nc2ccc(cc2)-c2ccc(cc2)N=Nc2c(N)c3c(O)c(N=Nc4ccccc4)c(cc3cc2S(O)(=O)=O)S(O)(=O)=O)c(N)c1 |w:20.22,6.6,28.29|
SMILES: Nc1ccc(N=Nc2ccc(cc2)-c2ccc(cc2)N=Nc2c(N)c3c(O)c(N=Nc4ccccc4)c(cc3cc2S(O)(=O)=O)S(O)(=O)=O)c(N)c1 |w:20.22,6.6,28.29|
InChI key: ATFARZXNCCWOKJ-UHFFFAOYSA-N
