3-(4-methylphenyl)sulfonyl-4-oxidanylidene-dodecanoic acid

Systemtic Name: 3-(4-methylphenyl)sulfonyl-4-oxidanylidene-dodecanoic acid Openeye Name: 4-oxo-3-(p-tolylsulfonyl)dodecanoic acid CAS Name: 3-(4-methylphenyl)sulfonyl-4-oxododecanoic acid IUPAC Name: 3-(4-methylphenyl)sulfonyl-4-oxododecanoic acid Traditional Name: 4-keto-3-tosyl-lauric acid Formula: C19H28O5S MolecularWeight: 368.48762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)C(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCC(=O)C(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C19H28O5S/c1-3-4-5-6-7-8-9-17(20)18(14-19(21)22)25(23,24)16-12-10-15(2)11-13-16/h10-13,18H,3-9,14H2,1-2H3,(H,21,22)