methyl (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-4-ynoate

Systemtic Name: methyl (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-4-ynoate Openeye Name: methyl (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-4-ynoate CAS Name: (E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)pent-2-en-4-ynoic acid methyl ester IUPAC Name: methyl (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-4-ynoate Traditional Name: (E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-2-en-4-ynoic acid methyl ester Formula: C16H22O2 MolecularWeight: 246.34468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O2/c1-12(11-15(17)18-5)8-9-14-13(2)7-6-10-16(14,3)4/h11H,6-7,10H2,1-5H3/b12-11+