Molecule ID: 51351680

IUPAC Name: 2-(5,5-dimethyl-2-oxooxolan-3-yl)ethyl benzenesulfonate

Description: The molecule is a butan-4-olide having a 2-(phenylsulfonyloxy)ethyl group at the 3-position and two methyl substituents at the 5-position. It is a butan-4-olide and a benzenesulfonate ester.

SMILES: CC1(C)CC(CCOS(=O)(=O)c2ccccc2)C(=O)O1

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

InChI: InChI=1S/C14H18O5S/c1-14(2)10-11(13(15)19-14)8-9-18-20(16,17)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3

Molecular Properties:
- Polar Surface Area: 78.0 Ų
- LogP: 2.2