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

Systemtic Name: hept-1-ynyl 1-methyl-4-[4-(4-octoxyphenyl)phenyl]carbonyloxy-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: hept-1-ynyl 1-methyl-4-[4-(4-octoxyphenyl)benzoyl]oxy-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 1-methyl-4-[[4-(4-octoxyphenyl)phenyl]-oxomethoxy]-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid hept-1-ynyl ester IUPAC Name: hept-1-ynyl 1-methyl-4-[4-(4-octoxyphenyl)benzoyl]oxy-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-keto-1-methyl-4-[4-(4-octoxyphenyl)benzoyl]oxy-cyclohexa-2,4-diene-1-carboxylic acid hept-1-ynyl ester Formula: C36H42O6 MolecularWeight: 570.71508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC(=O)C(C=C3)(C)C(=O)OC#CCCCCC

Isomeric SMILES

CCCCCCCCOC1=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/C36H42O6/c1-4-6-8-10-12-13-25-40-31-21-19-29(20-22-31)28-15-17-30(18-16-28)34(38)42-32-23-24-36(3,33(37)27-32)35(39)41-26-14-11-9-7-5-2/h15-24,27H,4-13,25H2,1-3H3