3-[2,5-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butanoic acid

Systemtic Name: 3-[2,5-dimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-3-methyl-butanoic acid Openeye Name: 3-(2,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-3-methyl-butanoic acid CAS Name: 3-(2,5-dimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-3-methylbutanoic acid IUPAC Name: 3-(2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-3-methylbutanoic acid Traditional Name: 3-(3,6-diketo-2,5-dimethyl-cyclohexa-1,4-dien-1-yl)-3-methyl-butyric acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-7-5-9(14)8(2)11(12(7)17)13(3,4)6-10(15)16/h5H,6H2,1-4H3,(H,15,16)