2-(4-methylphenyl)sulfonyloxyoctadecanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyloxyoctadecanoic acid Openeye Name: 2-(p-tolylsulfonyloxy)octadecanoic acid CAS Name: 2-(4-methylphenyl)sulfonyloxyoctadecanoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyloxyoctadecanoic acid Traditional Name: 2-tosyloxystearic acid Formula: C25H42O5S MolecularWeight: 454.66298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(=O)O)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(=O)O)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C25H42O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(25(26)27)30-31(28,29)23-20-18-22(2)19-21-23/h18-21,24H,3-17H2,1-2H3,(H,26,27)