2-methyl-6-octadecyl-benzenesulfonic acid

Systemtic Name: 2-methyl-6-octadecyl-benzenesulfonic acid Openeye Name: 2-methyl-6-octadecyl-benzenesulfonic acid CAS Name: 2-methyl-6-octadecylbenzenesulfonic acid IUPAC Name: 2-methyl-6-octadecylbenzenesulfonic acid Traditional Name: 2-methyl-6-stearyl-besylic acid Formula: C25H44O3S MolecularWeight: 424.68006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=CC(=C1S(=O)(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=CC(=C1S(=O)(=O)O)C

InChI

InChI=1S/C25H44O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-22-19-20-23(2)25(24)29(26,27)28/h19-20,22H,3-18,21H2,1-2H3,(H,26,27,28)