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

Systemtic Name: oct-1-ynyl 4-(4-hexylcyclohexyl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: oct-1-ynyl 4-(4-hexylcyclohexyl)-1-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-(4-hexylcyclohexyl)-1-methyl-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid oct-1-ynyl ester IUPAC Name: oct-1-ynyl 4-(4-hexylcyclohexyl)-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-(4-hexylcyclohexyl)-6-keto-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid oct-1-ynyl ester Formula: C28H42O3 MolecularWeight: 426.63128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#COC(=O)C1(C=CC(=CC1=O)C2CCC(CC2)CCCCCC)C

Isomeric SMILES

CCCCCCC#COC(=O)C1(C=CC(=CC1=O)C2CCC(CC2)CCCCCC)C

InChI

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