Molecule ID: 51351697

IUPAC Name: 1-(5,5-dimethyl-2-oxooxolan-3-yl)ethyl 4-chlorobenzenesulfonate

Description: The molecule is a butan-4-olide having a [1-(4-chlorophenylsulfonyl)oxy]ethyl group at the 3-position and two methyl substituents at the 5-position. It is a butan-4-olide, an arenesulfonate ester and a member of monochlorobenzenes.

SMILES: CC(OS(=O)(=O)c1ccc(Cl)cc1)C1CC(C)(C)OC1=O

SELFIES: [C][C][Branch2][Ring1][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][=O]

InChI: InChI=1S/C14H17ClO5S/c1-9(12-8-14(2,3)19-13(12)16)20-21(17,18)11-6-4-10(15)5-7-11/h4-7,9,12H,8H2,1-3H3

Molecular Properties:
- Polar Surface Area: 78.0 Ų
- LogP: 2.9