3-[4-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]pentanoic acid

Systemtic Name: 3-[4-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]pentanoic acid Openeye Name: 3-(4-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)pentanoic acid CAS Name: 3-(4-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)pentanoic acid IUPAC Name: 3-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)pentanoic acid Traditional Name: 3-(3,6-diketo-4-methyl-cyclohexa-1,4-dien-1-yl)valeric acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c1-3-8(5-12(15)16)9-6-10(13)7(2)4-11(9)14/h4,6,8H,3,5H2,1-2H3,(H,15,16)