HIT ID: HIT101493590

Cas No: 76-60-8

分子式: C21H14Br4O5S

分子量: 698.01

常用名: 3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,1lambda6-benzoxathiole-1,1-dione, Bromocresol green

氢键受体数 (HBA): 7

氢键供体数 (HBD): 2

LogP: 7.5491

IUPAC: 3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-2,1lambda6-benzoxathiole-1,1-dione

SMILES: Cc1c(Br)c(O)c(Br)cc1C1(OS(=O)(=O)c2ccccc12)c1cc(Br)c(O)c(Br)c1C

InChI key: FRPHFZCDPYBUAU-UHFFFAOYSA-N