4-(3-oxidanylidenecyclohexa-1,5-dien-1-yl)butanoic acid

Systemtic Name: 4-(3-oxidanylidenecyclohexa-1,5-dien-1-yl)butanoic acid Openeye Name: 4-(3-oxocyclohexa-1,5-dien-1-yl)butanoic acid CAS Name: 4-(3-oxo-1-cyclohexa-1,5-dienyl)butanoic acid IUPAC Name: 4-(3-oxocyclohexa-1,5-dien-1-yl)butanoic acid Traditional Name: 4-(3-ketocyclohexa-1,5-dien-1-yl)butyric acid Formula: C10H12O3 MolecularWeight: 180.20048

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=CC1=O)CCCC(=O)O

Isomeric SMILES

C1C=CC(=CC1=O)CCCC(=O)O

InChI

InChI=1S/C10H12O3/c11-9-5-1-3-8(7-9)4-2-6-10(12)13/h1,3,7H,2,4-6H2,(H,12,13)