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

Systemtic Name: pent-1-ynyl 4-(4-hexylcyclohexyl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: pent-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 pent-1-ynyl ester IUPAC Name: pent-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 pent-1-ynyl ester Formula: C25H36O3 MolecularWeight: 384.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C2=CC(=O)C(C=C2)(C)C(=O)OC#CCCC

Isomeric SMILES

CCCCCCC1CCC(CC1)C2=CC(=O)C(C=C2)(C)C(=O)OC#CCCC

InChI

InChI=1S/C25H36O3/c1-4-6-8-9-11-20-12-14-21(15-13-20)22-16-17-25(3,23(26)19-22)24(27)28-18-10-7-5-2/h16-17,19-21H,4-9,11-15H2,1-3H3