5-butan-2-yl-3-ethanoyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-butan-2-yl-3-ethanoyl-2-oxidanyl-benzoic acid Openeye Name: 3-acetyl-2-hydroxy-5-sec-butyl-benzoic acid CAS Name: 3-acetyl-5-butan-2-yl-2-hydroxybenzoic acid IUPAC Name: 3-acetyl-5-butan-2-yl-2-hydroxybenzoic acid Traditional Name: 3-acetyl-2-hydroxy-5-sec-butyl-benzoic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-4-7(2)9-5-10(8(3)14)12(15)11(6-9)13(16)17/h5-7,15H,4H2,1-3H3,(H,16,17)