4-(hexanoylamino)-2-oxidanyl-benzoate

Systemtic Name: 4-(hexanoylamino)-2-oxidanyl-benzoate Openeye Name: 4-(hexanoylamino)-2-hydroxy-benzoate CAS Name: 2-hydroxy-4-(1-oxohexylamino)benzoate IUPAC Name: 4-(hexanoylamino)-2-hydroxybenzoate Traditional Name: 4-(caproylamino)-2-hydroxy-benzoate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC(=C(C=C1)C(=O)[O-])O

Isomeric SMILES

CCCCCC(=O)NC1=CC(=C(C=C1)C(=O)[O-])O

InChI

InChI=1S/C13H17NO4/c1-2-3-4-5-12(16)14-9-6-7-10(13(17)18)11(15)8-9/h6-8,15H,2-5H2,1H3,(H,14,16)(H,17,18)/p-1