5-(azaniumylmethyl)-2-oxidanyl-benzoate

Systemtic Name: 5-(azaniumylmethyl)-2-oxidanyl-benzoate Openeye Name: 5-(azaniumylmethyl)-2-hydroxy-benzoate CAS Name: 5-(ammoniomethyl)-2-hydroxybenzoate IUPAC Name: 5-(azaniumylmethyl)-2-hydroxybenzoate Traditional Name: 5-(ammoniomethyl)-2-hydroxy-benzoate Formula: C8H9NO3 MolecularWeight: 167.16196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C[NH3+])C(=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1C[NH3+])C(=O)[O-])O

InChI

InChI=1S/C8H9NO3/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-3,10H,4,9H2,(H,11,12)