2-(2-methylphenyl)-2-oxidanyl-6-oxidanylidene-hexanoic acid

Systemtic Name: 2-(2-methylphenyl)-2-oxidanyl-6-oxidanylidene-hexanoic acid Openeye Name: 2-hydroxy-2-(o-tolyl)-6-oxo-hexanoic acid CAS Name: 2-hydroxy-2-(2-methylphenyl)-6-oxohexanoic acid IUPAC Name: 2-hydroxy-2-(2-methylphenyl)-6-oxohexanoic acid Traditional Name: 2-hydroxy-6-keto-2-(o-tolyl)hexanoic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CCCC=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1C(CCCC=O)(C(=O)O)O

InChI

InChI=1S/C13H16O4/c1-10-6-2-3-7-11(10)13(17,12(15)16)8-4-5-9-14/h2-3,6-7,9,17H,4-5,8H2,1H3,(H,15,16)