Molecule ID: 45266878

IUPAC Name: (5,5-dimethyl-2-oxooxolan-3-yl)methyl 4-methoxybenzenesulfonate

Description: The molecule is a butan-4-olide having a (4-methoxyphenylsulfonyloxy)methyl group at the 3-position and two methyl substituents at the 5-position. It is a butan-4-olide and an arenesulfonate ester.

SMILES: COc1ccc(S(=O)(=O)OCC2CC(C)(C)OC2=O)cc1

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

InChI: InChI=1S/C14H18O6S/c1-14(2)8-10(13(15)20-14)9-19-21(16,17)12-6-4-11(18-3)5-7-12/h4-7,10H,8-9H2,1-3H3

Molecular Properties:
- Polar Surface Area: 87.3 Ų
- LogP: 1.8