hexyl 4-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-4-methyl-cyclohexane-1-carboxylate

Systemtic Name: hexyl 4-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-4-methyl-cyclohexane-1-carboxylate Openeye Name: hexyl 4-(3,6-dioxocyclohexa-1,4-dien-1-yl)-4-methyl-cyclohexanecarboxylate CAS Name: 4-(3,6-dioxo-1-cyclohexa-1,4-dienyl)-4-methyl-1-cyclohexanecarboxylic acid hexyl ester IUPAC Name: hexyl 4-(3,6-dioxocyclohexa-1,4-dien-1-yl)-4-methylcyclohexane-1-carboxylate Traditional Name: 4-(3,6-diketocyclohexa-1,4-dien-1-yl)-4-methyl-cyclohexanecarboxylic acid hexyl ester Formula: C20H28O4 MolecularWeight: 332.43392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1CCC(CC1)(C)C2=CC(=O)C=CC2=O

Isomeric SMILES

CCCCCCOC(=O)C1CCC(CC1)(C)C2=CC(=O)C=CC2=O

InChI

InChI=1S/C20H28O4/c1-3-4-5-6-13-24-19(23)15-9-11-20(2,12-10-15)17-14-16(21)7-8-18(17)22/h7-8,14-15H,3-6,9-13H2,1-2H3