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

Systemtic Name: heptyl 4-(4-hexoxyphenyl)carbonyloxy-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C28H38O6 MolecularWeight: 470.59772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1(C=CC(=CC1=O)OC(=O)C2=CC=C(C=C2)OCCCCCC)C

Isomeric SMILES

CCCCCCCOC(=O)C1(C=CC(=CC1=O)OC(=O)C2=CC=C(C=C2)OCCCCCC)C

InChI

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