HIT ID: HIT212731678
Cas No: 62625-32-5
分子式: C21H13Br4NaO5S
分子量: 720
常用名: Sodium 2,6-dibromo-4-(3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,2-dioxido-3H-benzo[d][1,2]oxathiol-3-yl)-3-methylphenolate
常用名: Sodium 2,6-dibromo-4-(3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,2-dioxido-3H-benzo[d][1,2]oxathiol-3-yl)-3-methylphenolate
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 8.210546
IUPAC: sodium 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,2-dioxo-3H-1,2lambda6-benzoxathiol-3-yl]-3-methylbenzen-1-olate
IUPAC: sodium 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-2,2-dioxo-3H-1,2lambda6-benzoxathiol-3-yl]-3-methylbenzen-1-olate
SMILES: [Na+].Cc1c(Br)c(O)c(Br)cc1C1(c2ccccc2OS1(=O)=O)c1cc(Br)c([O-])c(Br)c1C
SMILES: [Na+].Cc1c(Br)c(O)c(Br)cc1C1(c2ccccc2OS1(=O)=O)c1cc(Br)c([O-])c(Br)c1C
InChI key: MOJVWXINGPUKNT-UHFFFAOYSA-M
