4-[[(5-oxidanidyl-5-oxidanylidene-pentyl)azaniumyl]methyl]benzoate

Systemtic Name: 4-[[(5-oxidanidyl-5-oxidanylidene-pentyl)azaniumyl]methyl]benzoate Openeye Name: 4-[[(5-oxido-5-oxo-pentyl)ammonio]methyl]benzoate CAS Name: 4-[[(5-oxido-5-oxopentyl)ammonio]methyl]benzoate IUPAC Name: 4-[[(5-oxido-5-oxopentyl)azaniumyl]methyl]benzoate Traditional Name: 4-[[(5-keto-5-oxido-pentyl)ammonio]methyl]benzoate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]CCCCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]CCCCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H17NO4/c15-12(16)3-1-2-8-14-9-10-4-6-11(7-5-10)13(17)18/h4-7,14H,1-3,8-9H2,(H,15,16)(H,17,18)/p-1