3-(1-oxidanyl-1-oxidanylidene-pentan-3-yl)benzoic acid

Systemtic Name: 3-(1-oxidanyl-1-oxidanylidene-pentan-3-yl)benzoic acid Openeye Name: 3-(1-ethyl-3-hydroxy-3-oxo-propyl)benzoic acid CAS Name: 3-(1-hydroxy-1-oxopentan-3-yl)benzoic acid IUPAC Name: 3-(1-hydroxy-1-oxopentan-3-yl)benzoic acid Traditional Name: 3-(1-ethyl-3-hydroxy-3-keto-propyl)benzoic acid Formula: C12H14O4 MolecularWeight: 222.23716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4/c1-2-8(7-11(13)14)9-4-3-5-10(6-9)12(15)16/h3-6,8H,2,7H2,1H3,(H,13,14)(H,15,16)