3-butanoyl-5-ethyl-2-oxidanyl-benzoic acid

Systemtic Name: 3-butanoyl-5-ethyl-2-oxidanyl-benzoic acid Openeye Name: 3-butanoyl-5-ethyl-2-hydroxy-benzoic acid CAS Name: 5-ethyl-2-hydroxy-3-(1-oxobutyl)benzoic acid IUPAC Name: 3-butanoyl-5-ethyl-2-hydroxybenzoic acid Traditional Name: 3-butyryl-5-ethyl-2-hydroxy-benzoic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=CC(=C1O)C(=O)O)CC

Isomeric SMILES

CCCC(=O)C1=CC(=CC(=C1O)C(=O)O)CC

InChI

InChI=1S/C13H16O4/c1-3-5-11(14)9-6-8(4-2)7-10(12(9)15)13(16)17/h6-7,15H,3-5H2,1-2H3,(H,16,17)