[3-[2,4-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butyl] propanoate

Systemtic Name: [3-[2,4-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butyl] propanoate Openeye Name: [3-(2,4-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-3-methyl-butyl] propanoate CAS Name: propanoic acid [3-(2,4-dimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-3-methylbutyl] ester IUPAC Name: [3-(2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-3-methylbutyl] propanoate Traditional Name: propionic acid [3-(3,6-diketo-2,4-dimethyl-cyclohexa-1,4-dien-1-yl)-3-methyl-butyl] ester Formula: C16H22O4 MolecularWeight: 278.34348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCC(C)(C)C1=C(C(=O)C(=CC1=O)C)C

Isomeric SMILES

CCC(=O)OCCC(C)(C)C1=C(C(=O)C(=CC1=O)C)C

InChI

InChI=1S/C16H22O4/c1-6-13(18)20-8-7-16(4,5)14-11(3)15(19)10(2)9-12(14)17/h9H,6-8H2,1-5H3