methyl (E)-3-methyl-5-(2,2,6-trimethyl-1-oxidanyl-cyclohexyl)pent-2-en-4-ynoate

Systemtic Name: methyl (E)-3-methyl-5-(2,2,6-trimethyl-1-oxidanyl-cyclohexyl)pent-2-en-4-ynoate Openeye Name: methyl (E)-5-(1-hydroxy-2,2,6-trimethyl-cyclohexyl)-3-methyl-pent-2-en-4-ynoate CAS Name: (E)-5-(1-hydroxy-2,2,6-trimethylcyclohexyl)-3-methylpent-2-en-4-ynoic acid methyl ester IUPAC Name: methyl (E)-5-(1-hydroxy-2,2,6-trimethylcyclohexyl)-3-methylpent-2-en-4-ynoate Traditional Name: (E)-5-(1-hydroxy-2,2,6-trimethyl-cyclohexyl)-3-methyl-pent-2-en-4-ynoic acid methyl ester Formula: C16H24O3 MolecularWeight: 264.35996

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1(C#CC(=CC(=O)OC)C)O)(C)C

Isomeric SMILES

CC1CCCC(C1(C#C/C(=C/C(=O)OC)/C)O)(C)C

InChI

InChI=1S/C16H24O3/c1-12(11-14(17)19-5)8-10-16(18)13(2)7-6-9-15(16,3)4/h11,13,18H,6-7,9H2,1-5H3/b12-11+