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

Systemtic Name: oct-1-ynyl 4-(4-heptylcyclohexyl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: oct-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 oct-1-ynyl ester IUPAC Name: oct-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 oct-1-ynyl ester Formula: C29H44O3 MolecularWeight: 440.65786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44O3/c1-4-6-8-10-12-14-22-32-28(31)29(3)21-20-26(23-27(29)30)25-18-16-24(17-19-25)15-13-11-9-7-5-2/h20-21,23-25H,4-13,15-19H2,1-3H3