(2,6,6-trimethylcyclohexen-1-yl) (E)-2-cyano-4-methyl-hex-2-enoate

Systemtic Name: (2,6,6-trimethylcyclohexen-1-yl) (E)-2-cyano-4-methyl-hex-2-enoate Openeye Name: (2,6,6-trimethylcyclohexen-1-yl) (E)-2-cyano-4-methyl-hex-2-enoate CAS Name: (E)-2-cyano-4-methyl-2-hexenoic acid (2,6,6-trimethyl-1-cyclohexenyl) ester IUPAC Name: (2,6,6-trimethylcyclohexen-1-yl) (E)-2-cyano-4-methylhex-2-enoate Traditional Name: (E)-2-cyano-4-methyl-hex-2-enoic acid (2,6,6-trimethylcyclohexen-1-yl) ester Formula: C17H25NO2 MolecularWeight: 275.3859

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C=C(C#N)C(=O)OC1=C(CCCC1(C)C)C

Isomeric SMILES

CCC(C)/C=C(\C#N)/C(=O)OC1=C(CCCC1(C)C)C

InChI

InChI=1S/C17H25NO2/c1-6-12(2)10-14(11-18)16(19)20-15-13(3)8-7-9-17(15,4)5/h10,12H,6-9H2,1-5H3/b14-10+