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

Systemtic Name: oct-1-ynyl 4-[4-(4-heptoxyphenyl)phenyl]carbonyloxy-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: oct-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 oct-1-ynyl ester IUPAC Name: oct-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 oct-1-ynyl ester Formula: C36H42O6 MolecularWeight: 570.71508

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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#CCCCCCC

Isomeric SMILES

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

InChI

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