hexyl 4-(4-hexoxyphenyl)carbonyloxy-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: hexyl 4-(4-hexoxyphenyl)carbonyloxy-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: hexyl 4-(4-hexoxybenzoyl)oxy-1-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-[(4-hexoxyphenyl)-oxomethoxy]-1-methyl-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid hexyl ester IUPAC Name: hexyl 4-(4-hexoxybenzoyl)oxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-(4-hexoxybenzoyl)oxy-6-keto-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid hexyl ester Formula: C27H36O6 MolecularWeight: 456.57114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=O)C(C=C2)(C)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=O)C(C=C2)(C)C(=O)OCCCCCC

InChI

InChI=1S/C27H36O6/c1-4-6-8-10-18-31-22-14-12-21(13-15-22)25(29)33-23-16-17-27(3,24(28)20-23)26(30)32-19-11-9-7-5-2/h12-17,20H,4-11,18-19H2,1-3H3