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

Systemtic Name: hept-1-ynyl 4-[4-(4-hexoxyphenyl)phenyl]carbonyloxy-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: hept-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 hept-1-ynyl ester IUPAC Name: hept-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 hept-1-ynyl ester Formula: C34H38O6 MolecularWeight: 542.66192

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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#CCCCCC

Isomeric SMILES

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

InChI

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