2-(2-cyanopropan-2-yl)-3,4,6-trimethyl-benzoic acid

Systemtic Name: 2-(2-cyanopropan-2-yl)-3,4,6-trimethyl-benzoic acid Openeye Name: 2-(1-cyano-1-methyl-ethyl)-3,4,6-trimethyl-benzoic acid CAS Name: 2-(2-cyanopropan-2-yl)-3,4,6-trimethylbenzoic acid IUPAC Name: 2-(2-cyanopropan-2-yl)-3,4,6-trimethylbenzoic acid Traditional Name: 2-(1-cyano-1-methyl-ethyl)-3,4,6-trimethyl-benzoic acid Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO2/c1-8-6-9(2)11(13(16)17)12(10(8)3)14(4,5)7-15/h6H,1-5H3,(H,16,17)