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

Systemtic Name: hex-1-ynyl 1-methyl-4-[4-(4-octoxyphenyl)phenyl]carbonyloxy-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: hex-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 hex-1-ynyl ester IUPAC Name: hex-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 hex-1-ynyl ester Formula: C35H40O6 MolecularWeight: 556.6885

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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#CCCCC

Isomeric SMILES

CCCCCCCCOC1=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/C35H40O6/c1-4-6-8-10-11-13-24-39-30-20-18-28(19-21-30)27-14-16-29(17-15-27)33(37)41-31-22-23-35(3,32(36)26-31)34(38)40-25-12-9-7-5-2/h14-23,26H,4-11,13,24H2,1-3H3