Molecule ID: 51351663

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

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

SMILES: Cc1ccc(S(=O)(=O)OCCC2CC(C)(C)OC2=O)cc1

SELFIES: [C][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/C15H20O5S/c1-11-4-6-13(7-5-11)21(17,18)19-9-8-12-10-15(2,3)20-14(12)16/h4-7,12H,8-10H2,1-3H3

Molecular Properties:
- Polar Surface Area: 78.0 Ų
- LogP: 2.5