Molecule ID: 12424886

IUPAC Name: methylsulfonylmethylsulfonylmethylbenzene

Description: The molecule is a member of the class of benzenes that is benzene substituted by a [(methanesulfonyl)methanesulfonyl]methyl group. It has a role as a metabolite. It is a sulfone and a member of benzenes.

SMILES: CS(=O)(=O)CS(=O)(=O)Cc1ccccc1

SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C9H12O4S2/c1-14(10,11)8-15(12,13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

Molecular Properties:
- Polar Surface Area: 85.0 Ų
- LogP: 0.6