5-methyl-2-oxidanyl-3-propanoyl-benzoic acid

Systemtic Name: 5-methyl-2-oxidanyl-3-propanoyl-benzoic acid Openeye Name: 2-hydroxy-5-methyl-3-propanoyl-benzoic acid CAS Name: 2-hydroxy-5-methyl-3-(1-oxopropyl)benzoic acid IUPAC Name: 2-hydroxy-5-methyl-3-propanoylbenzoic acid Traditional Name: 2-hydroxy-5-methyl-3-propionyl-benzoic acid Formula: C11H12O4 MolecularWeight: 208.21058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O4/c1-3-9(12)7-4-6(2)5-8(10(7)13)11(14)15/h4-5,13H,3H2,1-2H3,(H,14,15)