hex-1-ynyl 4-[4-(4-heptoxyphenyl)phenyl]carbonyloxy-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: hex-1-ynyl 4-[4-(4-heptoxyphenyl)phenyl]carbonyloxy-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: hex-1-ynyl 4-[4-(4-heptoxyphenyl)benzoyl]oxy-1-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-[[4-(4-heptoxyphenyl)phenyl]-oxomethoxy]-1-methyl-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid hex-1-ynyl ester IUPAC Name: hex-1-ynyl 4-[4-(4-heptoxyphenyl)benzoyl]oxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-[4-(4-heptoxyphenyl)benzoyl]oxy-6-keto-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid hex-1-ynyl ester Formula: C34H38O6 MolecularWeight: 542.66192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=O)C(C=C3)(C)C(=O)OC#CCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=O)C(C=C3)(C)C(=O)OC#CCCCC

InChI

InChI=1S/C34H38O6/c1-4-6-8-10-12-23-38-29-19-17-27(18-20-29)26-13-15-28(16-14-26)32(36)40-30-21-22-34(3,31(35)25-30)33(37)39-24-11-9-7-5-2/h13-22,25H,4-10,12,23H2,1-3H3