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

Systemtic Name: pent-1-ynyl 1-methyl-4-(4-octylcyclohexyl)-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: pent-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 pent-1-ynyl ester IUPAC Name: pent-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 pent-1-ynyl ester Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40O3/c1-4-6-8-9-10-11-13-22-14-16-23(17-15-22)24-18-19-27(3,25(28)21-24)26(29)30-20-12-7-5-2/h18-19,21-23H,4-11,13-17H2,1-3H3