Molecule ID: 25456

IUPAC Name: 3-dodecylbenzenesulfonic acid

Description: The molecule is a member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 3 of the phenyl ring is substituted by a dodecyl group.

SMILES: CCCCCCCCCCCCc1cccc(S(=O)(=O)O)c1

SELFIES: [C][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][Ring1][#Branch2]

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

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