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

Systemtic Name: oct-1-ynyl 1-methyl-4-[4-(4-octoxyphenyl)phenyl]carbonyloxy-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: oct-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 oct-1-ynyl ester IUPAC Name: oct-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 oct-1-ynyl ester Formula: C37H44O6 MolecularWeight: 584.74166

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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#CCCCCCC

Isomeric SMILES

CCCCCCCCOC1=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/C37H44O6/c1-4-6-8-10-12-14-26-41-32-22-20-30(21-23-32)29-16-18-31(19-17-29)35(39)43-33-24-25-37(3,34(38)28-33)36(40)42-27-15-13-11-9-7-5-2/h16-25,28H,4-14,26H2,1-3H3