9-oxidanylidene-6-(phenylsulfonyl)decanoic acid

Systemtic Name: 9-oxidanylidene-6-(phenylsulfonyl)decanoic acid Openeye Name: 6-(benzenesulfonyl)-9-oxo-decanoic acid CAS Name: 6-(benzenesulfonyl)-9-oxodecanoic acid IUPAC Name: 6-(benzenesulfonyl)-9-oxodecanoic acid Traditional Name: 6-besyl-9-keto-capric acid Formula: C16H22O5S MolecularWeight: 326.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(CCCCC(=O)O)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)CCC(CCCCC(=O)O)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H22O5S/c1-13(17)11-12-15(9-5-6-10-16(18)19)22(20,21)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3,(H,18,19)