Molecule ID: 9543069

IUPAC Name: 2-(2-oxopropylsulfanyl)ethanesulfonate

Description: The molecule is conjugate base of 2-oxopropyl-coenzyme M arising from deprotonation of the sulfonate function. It is a conjugate base of a 2-oxopropyl-CoM.

SMILES: CC(=O)CSCCS(=O)(=O)[O-]

SELFIES: [C][C][=Branch1][C][=O][C][S][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O-1]

InChI: InChI=1S/C5H10O4S2/c1-5(6)4-10-2-3-11(7,8)9/h2-4H2,1H3,(H,7,8,9)/p-1

Molecular Properties:
- Polar Surface Area: 108.0 Ų
- LogP: -0.6