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

Systemtic Name: hexyl 4-(4-heptoxyphenyl)carbonyloxy-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: hexyl 4-(4-heptoxybenzoyl)oxy-1-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-[(4-heptoxyphenyl)-oxomethoxy]-1-methyl-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid hexyl ester IUPAC Name: hexyl 4-(4-heptoxybenzoyl)oxy-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-(4-heptoxybenzoyl)oxy-6-keto-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid hexyl ester Formula: C28H38O6 MolecularWeight: 470.59772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=O)C(C=C2)(C)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=O)C(C=C2)(C)C(=O)OCCCCCC

InChI

InChI=1S/C28H38O6/c1-4-6-8-10-12-19-32-23-15-13-22(14-16-23)26(30)34-24-17-18-28(3,25(29)21-24)27(31)33-20-11-9-7-5-2/h13-18,21H,4-12,19-20H2,1-3H3