HIT ID: HIT218886891
Cas No: 67763-22-8
分子式: C21H17NaO5S
分子量: 404.41
常用名: m-Cresol purple sodium salt
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: sodium 4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxo-3H-2,1lambda6-benzoxathiol-3-yl]-3-methylbenzen-1-olate
IUPAC: sodium 4-[3-(4-hydroxy-2-methylphenyl)-1,1-dioxo-3H-2,1lambda6-benzoxathiol-3-yl]-3-methylbenzen-1-olate
SMILES: [Na+].Cc1cc(O)ccc1C1(OS(=O)(=O)c2ccccc12)c1ccc([O-])cc1C
SMILES: [Na+].Cc1cc(O)ccc1C1(OS(=O)(=O)c2ccccc12)c1ccc([O-])cc1C
InChI key: ALWHNCXHKCVHCK-UHFFFAOYSA-M