Acid Green 9
HIT217606520
sdf文件结构编辑类似物检索
HIT ID: HIT217606520
Cas No: 4857-81-2
分子式: C37H34ClN2NaO6S2
分子量: 725.25
常用名: Acid Green 9
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium 3-[({4-[(2-chlorophenyl)[(1E,4E)-4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene]methyl]phenyl}(ethyl)amino)methyl]benzene-1-sulfonate
IUPAC: sodium 3-[({4-[(2-chlorophenyl)[(1E,4E)-4-{ethyl[(3-sulfonatophenyl)methyl]iminiumyl}cyclohexa-2,5-dien-1-ylidene]methyl]phenyl}(ethyl)amino)methyl]benzene-1-sulfonate
SMILES: [Na+].CCN(Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S([O-])(=O)=O)c1ccccc1Cl
SMILES: [Na+].CCN(Cc1cccc(c1)S([O-])(=O)=O)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)Cc1cccc(c1)S([O-])(=O)=O)c1ccccc1Cl
InChI key: SHBDDIJUSNNBLQ-UHFFFAOYSA-M
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