6-cyano-3,3-dimethyl-6-(2-methylphenyl)-5-oxidanylidene-hexanoic acid

Systemtic Name: 6-cyano-3,3-dimethyl-6-(2-methylphenyl)-5-oxidanylidene-hexanoic acid Openeye Name: 6-cyano-3,3-dimethyl-6-(o-tolyl)-5-oxo-hexanoic acid CAS Name: 6-cyano-3,3-dimethyl-6-(2-methylphenyl)-5-oxohexanoic acid IUPAC Name: 6-cyano-3,3-dimethyl-6-(2-methylphenyl)-5-oxohexanoic acid Traditional Name: 6-cyano-5-keto-3,3-dimethyl-6-(o-tolyl)hexanoic acid Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#N)C(=O)CC(C)(C)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C#N)C(=O)CC(C)(C)CC(=O)O

InChI

InChI=1S/C16H19NO3/c1-11-6-4-5-7-12(11)13(10-17)14(18)8-16(2,3)9-15(19)20/h4-7,13H,8-9H2,1-3H3,(H,19,20)