HIT ID: HIT217710177
Cas No: 10190-68-8
分子式: C25H20N4Na2O9S3
分子量: 662.61
常用名: C.I. Direct yellow 27
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: disodium 2-{4-[(1E)-2-{1-[(2-methoxyphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]-3-sulfonatophenyl}-6-methyl-1,3-benzothiazole-7-sulfonate
IUPAC: disodium 2-{4-[(1E)-2-{1-[(2-methoxyphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl]-3-sulfonatophenyl}-6-methyl-1,3-benzothiazole-7-sulfonate
SMILES: [Na+].[Na+].COc1ccccc1NC(=O)C(\N=N\c1ccc(cc1S([O-])(=O)=O)-c1nc2ccc(C)c(c2s1)S([O-])(=O)=O)C(C)=O
SMILES: [Na+].[Na+].COc1ccccc1NC(=O)C(\N=N\c1ccc(cc1S([O-])(=O)=O)-c1nc2ccc(C)c(c2s1)S([O-])(=O)=O)C(C)=O
InChI key: WLDNGJFRVWQASY-NTDCDQSISA-L
