HIT ID: HIT212716775
Cas No: 1486617-21-3
分子式: C19H21ClO8S
分子量: 444.88
常用名: Lancotrione
氢键受体数 (HBA): 8
氢键供体数 (HBD): 1
LogP: 1.6181327
IUPAC: 2-{2-chloro-3-[2-(1,3-dioxolan-2-yl)ethoxy]-4-methanesulfonylbenzoyl}-3-hydroxycyclohex-2-en-1-one
IUPAC: 2-{2-chloro-3-[2-(1,3-dioxolan-2-yl)ethoxy]-4-methanesulfonylbenzoyl}-3-hydroxycyclohex-2-en-1-one
SMILES: CS(=O)(=O)c1ccc(C(=O)C2=C(O)CCCC2=O)c(Cl)c1OCCC1OCCO1 |c:10|
SMILES: CS(=O)(=O)c1ccc(C(=O)C2=C(O)CCCC2=O)c(Cl)c1OCCC1OCCO1 |c:10|
InChI key: YYRPFCKCSGLKJS-UHFFFAOYSA-N
