methyl 5-[4-tert-butyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-5,7,7-trimethyl-octanoate

Systemtic Name: methyl 5-[4-tert-butyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-5,7,7-trimethyl-octanoate Openeye Name: methyl 5-(4-tert-butyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-5,7,7-trimethyl-octanoate CAS Name: 5-(4-tert-butyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-5,7,7-trimethyloctanoic acid methyl ester IUPAC Name: methyl 5-(4-tert-butyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-5,7,7-trimethyloctanoate Traditional Name: 5-(4-tert-butyl-3,6-diketo-cyclohexa-1,4-dien-1-yl)-5,7,7-trimethyl-caprylic acid methyl ester Formula: C22H34O4 MolecularWeight: 362.50296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(CCCC(=O)OC)C1=CC(=O)C(=CC1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)CC(C)(CCCC(=O)OC)C1=CC(=O)C(=CC1=O)C(C)(C)C

InChI

InChI=1S/C22H34O4/c1-20(2,3)14-22(7,11-9-10-19(25)26-8)16-13-17(23)15(12-18(16)24)21(4,5)6/h12-13H,9-11,14H2,1-8H3