octyl 1-methyl-4-(4-octoxyphenyl)carbonyloxy-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: octyl 1-methyl-4-(4-octoxyphenyl)carbonyloxy-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: octyl 1-methyl-4-(4-octoxybenzoyl)oxy-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 1-methyl-4-[(4-octoxyphenyl)-oxomethoxy]-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid octyl ester IUPAC Name: octyl 1-methyl-4-(4-octoxybenzoyl)oxy-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-keto-1-methyl-4-(4-octoxybenzoyl)oxy-cyclohexa-2,4-diene-1-carboxylic acid octyl ester Formula: C31H44O6 MolecularWeight: 512.67746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=O)C(C=C2)(C)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=O)C(C=C2)(C)C(=O)OCCCCCCCC

InChI

InChI=1S/C31H44O6/c1-4-6-8-10-12-14-22-35-26-18-16-25(17-19-26)29(33)37-27-20-21-31(3,28(32)24-27)30(34)36-23-15-13-11-9-7-5-2/h16-21,24H,4-15,22-23H2,1-3H3