methyl (E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynoate

Systemtic Name: methyl (E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynoate Openeye Name: methyl (E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynoate CAS Name: (E)-5-(2,6,6-trimethyl-1-cyclohexenyl)pent-4-en-2-ynoic acid methyl ester IUPAC Name: methyl (E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynoate Traditional Name: (E)-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-ynoic acid methyl ester Formula: C15H20O2 MolecularWeight: 232.3181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC#CC(=O)OC

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C#CC(=O)OC

InChI

InChI=1S/C15H20O2/c1-12-8-7-11-15(2,3)13(12)9-5-6-10-14(16)17-4/h5,9H,7-8,11H2,1-4H3/b9-5+