hept-1-ynyl 1-methyl-4-(4-octylcyclohexyl)-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: hept-1-ynyl 1-methyl-4-(4-octylcyclohexyl)-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: hept-1-ynyl 1-methyl-4-(4-octylcyclohexyl)-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 1-methyl-4-(4-octylcyclohexyl)-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid hept-1-ynyl ester IUPAC Name: hept-1-ynyl 1-methyl-4-(4-octylcyclohexyl)-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-keto-1-methyl-4-(4-octylcyclohexyl)cyclohexa-2,4-diene-1-carboxylic acid hept-1-ynyl ester Formula: C29H44O3 MolecularWeight: 440.65786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C2=CC(=O)C(C=C2)(C)C(=O)OC#CCCCCC

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C2=CC(=O)C(C=C2)(C)C(=O)OC#CCCCCC

InChI

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