8-(3-methylphenyl)-8-oxidanylidene-octanoic acid

Systemtic Name: 8-(3-methylphenyl)-8-oxidanylidene-octanoic acid Openeye Name: 8-(m-tolyl)-8-oxo-octanoic acid CAS Name: 8-(3-methylphenyl)-8-oxooctanoic acid IUPAC Name: 8-(3-methylphenyl)-8-oxooctanoic acid Traditional Name: 8-keto-8-(m-tolyl)caprylic acid Formula: C15H20O3 MolecularWeight: 248.3175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)CCCCCCC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)CCCCCCC(=O)O

InChI

InChI=1S/C15H20O3/c1-12-7-6-8-13(11-12)14(16)9-4-2-3-5-10-15(17)18/h6-8,11H,2-5,9-10H2,1H3,(H,17,18)