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

Systemtic Name: hexyl 1-methyl-4-(4-octoxyphenyl)carbonyloxy-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C29H40O6 MolecularWeight: 484.6243

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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)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H40O6/c1-4-6-8-10-11-13-20-33-24-16-14-23(15-17-24)27(31)35-25-18-19-29(3,26(30)22-25)28(32)34-21-12-9-7-5-2/h14-19,22H,4-13,20-21H2,1-3H3