HIT ID: HIT218847319
Cas No: 68959-00-2
分子式: C25H21N4NaO4S
分子量: 496.52
常用名: Acid Orange 116
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium 3-[(1E)-2-{4-[(1E)-2-(2-ethoxy-5-methylphenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]benzene-1-sulfonate
IUPAC: sodium 3-[(1E)-2-{4-[(1E)-2-(2-ethoxy-5-methylphenyl)diazen-1-yl]naphthalen-1-yl}diazen-1-yl]benzene-1-sulfonate
SMILES: [Na+].CCOc1ccc(C)cc1\N=N\c1ccc(\N=N\c2cccc(c2)S([O-])(=O)=O)c2ccccc12
SMILES: [Na+].CCOc1ccc(C)cc1\N=N\c1ccc(\N=N\c2cccc(c2)S([O-])(=O)=O)c2ccccc12
InChI key: PHBKXNWUWOCVEI-JEXCGEKGSA-M
