Molecule ID: 51351662

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

Description: The molecule is a butan-4-olide having a 2-[(4-methoxyphenylsulfonyl)oxy]ethyl 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)OCCC2CC(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][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C15H20O6S/c1-15(2)10-11(14(16)21-15)8-9-20-22(17,18)13-6-4-12(19-3)5-7-13/h4-7,11H,8-10H2,1-3H3

Molecular Properties:
- Polar Surface Area: 87.3 Ų
- LogP: 2.1