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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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