Molecule ID: 45266879

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

Description: The molecule is a butan-4-olide having a (phenylsulfonyloxy)methyl 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(COS(=O)(=O)c2ccccc2)C(=O)O1

SELFIES: [C][C][Branch1][C][C][C][C][Branch2][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][C]

InChI: InChI=1S/C13H16O5S/c1-13(2)8-10(12(14)18-13)9-17-19(15,16)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

Molecular Properties:
- Polar Surface Area: 78.0 Ų
- LogP: 1.8