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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC(=O)C(C=C2)(C)C(=O)OC#CCCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC(=O)C(C=C2)(C)C(=O)OC#CCCCCC

InChI

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