Molecule ID: 25457

IUPAC Name: 2-dodecylbenzenesulfonic acid

Description: The molecule is a member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 2 of the phenyl ring is substituted by a dodecyl group. It has a role as an animal metabolite.

SMILES: CCCCCCCCCCCCc1ccccc1S(=O)(=O)O

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

InChI: InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)

Molecular Properties:
- Polar Surface Area: 62.8 Ų
- LogP: 6.9