3-hexadecylbenzenesulfonic acid

Systemtic Name: 3-hexadecylbenzenesulfonic acid Openeye Name: 3-hexadecylbenzenesulfonic acid CAS Name: 3-hexadecylbenzenesulfonic acid IUPAC Name: 3-hexadecylbenzenesulfonic acid Traditional Name: 3-cetylbesylic acid Formula: C22H38O3S MolecularWeight: 382.60032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC(=CC=C1)S(=O)(=O)O

InChI

InChI=1S/C22H38O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-21-18-16-19-22(20-21)26(23,24)25/h16,18-20H,2-15,17H2,1H3,(H,23,24,25)