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

Systemtic Name: oct-1-ynyl 1-methyl-4-(4-octylcyclohexyl)-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: oct-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 oct-1-ynyl ester IUPAC Name: oct-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 oct-1-ynyl ester Formula: C30H46O3 MolecularWeight: 454.68444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46O3/c1-4-6-8-10-12-14-16-25-17-19-26(20-18-25)27-21-22-30(3,28(31)24-27)29(32)33-23-15-13-11-9-7-5-2/h21-22,24-26H,4-14,16-20H2,1-3H3