methyl (E)-2-cyano-2,3,5-trimethyl-hex-3-enoate

Systemtic Name: methyl (E)-2-cyano-2,3,5-trimethyl-hex-3-enoate Openeye Name: methyl (E)-2-cyano-2,3,5-trimethyl-hex-3-enoate CAS Name: (E)-2-cyano-2,3,5-trimethyl-3-hexenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-2,3,5-trimethylhex-3-enoate Traditional Name: (E)-2-cyano-2,3,5-trimethyl-hex-3-enoic acid methyl ester Formula: C11H17NO2 MolecularWeight: 195.25818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C=C(C)C(C)(C#N)C(=O)OC

Isomeric SMILES

CC(C)/C=C(\C)/C(C)(C#N)C(=O)OC

InChI

InChI=1S/C11H17NO2/c1-8(2)6-9(3)11(4,7-12)10(13)14-5/h6,8H,1-5H3/b9-6+