HIT ID: HIT100745854
Cas No: 91406-11-0
分子式: C13H14O5S
分子量: 282.31
常用名: Esuprone
氢键受体数 (HBA): 3
氢键供体数 (HBD): 0
LogP: 2.412
IUPAC: 3,4-dimethyl-2-oxo-2H-chromen-7-yl ethane-1-sulfonate
IUPAC: 3,4-dimethyl-2-oxo-2H-chromen-7-yl ethane-1-sulfonate
SMILES: CCS(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
SMILES: CCS(=O)(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1
InChI key: CHDGAVDQRSPBTA-UHFFFAOYSA-N