pent-1-ynyl 4-(4-heptylcyclohexyl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: pent-1-ynyl 4-(4-heptylcyclohexyl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: pent-1-ynyl 4-(4-heptylcyclohexyl)-1-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-(4-heptylcyclohexyl)-1-methyl-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid pent-1-ynyl ester IUPAC Name: pent-1-ynyl 4-(4-heptylcyclohexyl)-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-(4-heptylcyclohexyl)-6-keto-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid pent-1-ynyl ester Formula: C26H38O3 MolecularWeight: 398.57812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC(=O)C(C=C2)(C)C(=O)OC#CCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC(=O)C(C=C2)(C)C(=O)OC#CCCC

InChI

InChI=1S/C26H38O3/c1-4-6-8-9-10-12-21-13-15-22(16-14-21)23-17-18-26(3,24(27)20-23)25(28)29-19-11-7-5-2/h17-18,20-22H,4-10,12-16H2,1-3H3