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

Systemtic Name: hex-1-ynyl 4-[4-(4-hexoxyphenyl)phenyl]carbonyloxy-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: hex-1-ynyl 4-[4-(4-hexoxyphenyl)benzoyl]oxy-1-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-[[4-(4-hexoxyphenyl)phenyl]-oxomethoxy]-1-methyl-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid hex-1-ynyl ester IUPAC Name: hex-1-ynyl 4-[4-(4-hexoxyphenyl)benzoyl]oxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-[4-(4-hexoxyphenyl)benzoyl]oxy-6-keto-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid hex-1-ynyl ester Formula: C33H36O6 MolecularWeight: 528.63534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=O)C(C=C3)(C)C(=O)OC#CCCCC

Isomeric SMILES

CCCCCCOC1=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/C33H36O6/c1-4-6-8-10-22-37-28-18-16-26(17-19-28)25-12-14-27(15-13-25)31(35)39-29-20-21-33(3,30(34)24-29)32(36)38-23-11-9-7-5-2/h12-21,24H,4-10,22H2,1-3H3