5-butanoyl-2-(hydroxymethyl)benzoate

Systemtic Name: 5-butanoyl-2-(hydroxymethyl)benzoate Openeye Name: 5-butanoyl-2-(hydroxymethyl)benzoate CAS Name: 2-(hydroxymethyl)-5-(1-oxobutyl)benzoate IUPAC Name: 5-butanoyl-2-(hydroxymethyl)benzoate Traditional Name: 5-butyryl-2-methylol-benzoate Formula: C12H13O4- MolecularWeight: 221.22922

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C=C1)CO)C(=O)[O-]

Isomeric SMILES

CCCC(=O)C1=CC(=C(C=C1)CO)C(=O)[O-]

InChI

InChI=1S/C12H14O4/c1-2-3-11(14)8-4-5-9(7-13)10(6-8)12(15)16/h4-6,13H,2-3,7H2,1H3,(H,15,16)/p-1