Molecule ID: 8485

IUPAC Name: 4-dodecylbenzenesulfonic acid

Description: The molecule is a member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 4 of the phenyl ring is substituted by a dodecyl group.

SMILES: CCCCCCCCCCCCc1ccc(S(=O)(=O)O)cc1

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

InChI: InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)

Molecular Properties:
- Polar Surface Area: 62.8 Ų
- LogP: 7.0