主记录
J3.101.979F
- CAS
- 1638508-98-1
- PubChem CID
- 58573734
- SMILES
- CC1C[C@@H]([C@@H](OC1=O)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl
- 分子式
- C18H16Cl2O2
- 分子量
- 335.23
- 精确分子量
- 334.0527
- InChI
- InChI=1S/C18H16Cl2O2/c1-11-9-16(13-3-2-4-15(20)10-13)17(22-18(11)21)12-5-7-14(19)8-6-12/h2-8,10-11,16-17H,9H2,1H3/t11?,16-,17+/m1/s1
- InChIKey
- QNQSZYRUBCVBEK-FEZAJYJGSA-N
- LogP
- 5.4013
- TPSA
- 26.3
名称与别名
- SCHEMBL9994444
- J3.101.979F
- (5R,6R)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyloxan-2-one
- (5R)-3-Methyl-5alpha-(3-chlorophenyl)-6alpha-(4-chlorophenyl)tetrahydro-2H-pyran-2-one
- 2H-Pyran-2-one, 5-(3-chlorophenyl)-6-(4-chlorophenyl)tetrahydro-3-methyl-, (5R,6R)-
- 1638508-98-1