4-(4-oxidanylidenecyclohexa-1,5-dien-1-yl)benzoic acid

Systemtic Name: 4-(4-oxidanylidenecyclohexa-1,5-dien-1-yl)benzoic acid Openeye Name: 4-(4-oxocyclohexa-1,5-dien-1-yl)benzoic acid CAS Name: 4-(4-oxo-1-cyclohexa-1,5-dienyl)benzoic acid IUPAC Name: 4-(4-oxocyclohexa-1,5-dien-1-yl)benzoic acid Traditional Name: 4-(4-ketocyclohexa-1,5-dien-1-yl)benzoic acid Formula: C13H10O3 MolecularWeight: 214.2167

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=CC1=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1C=C(C=CC1=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H10O3/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-7H,8H2,(H,15,16)