4-[3-methyl-2,5-bis(oxidanylidene)cyclopent-3-en-1-yl]benzoic acid

Systemtic Name: 4-[3-methyl-2,5-bis(oxidanylidene)cyclopent-3-en-1-yl]benzoic acid Openeye Name: 4-(3-methyl-2,5-dioxo-cyclopent-3-en-1-yl)benzoic acid CAS Name: 4-(3-methyl-2,5-dioxo-1-cyclopent-3-enyl)benzoic acid IUPAC Name: 4-(3-methyl-2,5-dioxocyclopent-3-en-1-yl)benzoic acid Traditional Name: 4-(2,5-diketo-3-methyl-cyclopent-3-en-1-yl)benzoic acid Formula: C13H10O4 MolecularWeight: 230.2161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(C1=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=O)C(C1=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H10O4/c1-7-6-10(14)11(12(7)15)8-2-4-9(5-3-8)13(16)17/h2-6,11H,1H3,(H,16,17)