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

Systemtic Name: hex-1-ynyl 1-methyl-4-(4-octylcyclohexyl)-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: hex-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 hex-1-ynyl ester IUPAC Name: hex-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 hex-1-ynyl ester Formula: C28H42O3 MolecularWeight: 426.63128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42O3/c1-4-6-8-10-11-12-14-23-15-17-24(18-16-23)25-19-20-28(3,26(29)22-25)27(30)31-21-13-9-7-5-2/h19-20,22-24H,4-12,14-18H2,1-3H3