2-cyano-2-(2,4,4-trimethyl-6-oxidanylidene-cyclohexen-1-yl)ethanoic acid

Systemtic Name: 2-cyano-2-(2,4,4-trimethyl-6-oxidanylidene-cyclohexen-1-yl)ethanoic acid Openeye Name: 2-cyano-2-(2,4,4-trimethyl-6-oxo-cyclohexen-1-yl)acetic acid CAS Name: 2-cyano-2-(2,4,4-trimethyl-6-oxo-1-cyclohexenyl)acetic acid IUPAC Name: 2-cyano-2-(2,4,4-trimethyl-6-oxocyclohexen-1-yl)acetic acid Traditional Name: 2-cyano-2-(6-keto-2,4,4-trimethyl-cyclohexen-1-yl)acetic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)CC(C1)(C)C)C(C#N)C(=O)O

Isomeric SMILES

CC1=C(C(=O)CC(C1)(C)C)C(C#N)C(=O)O

InChI

InChI=1S/C12H15NO3/c1-7-4-12(2,3)5-9(14)10(7)8(6-13)11(15)16/h8H,4-5H2,1-3H3,(H,15,16)