Molecule ID: 45266880

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

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

SMILES: CC1(C)CC(COS(=O)(=O)c2ccc(Cl)cc2)C(=O)O1

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

InChI: InChI=1S/C13H15ClO5S/c1-13(2)7-9(12(15)19-13)8-18-20(16,17)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 78.0 Ų
- LogP: 2.4