2-[[(3S,4S)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonatooxy-pentyl]amino]benzoate

Systemtic Name: 2-[[(3S,4S)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonatooxy-pentyl]amino]benzoate Openeye Name: 2-[[(3S,4S)-3,4-dihydroxy-2-oxo-5-phosphonatooxy-pentyl]amino]benzoate CAS Name: 2-[[(3S,4S)-3,4-dihydroxy-2-oxo-5-phosphonatooxypentyl]amino]benzoate IUPAC Name: 2-[[(3S,4S)-3,4-dihydroxy-2-oxo-5-phosphonatooxypentyl]amino]benzoate Traditional Name: 2-[[(3S,4S)-3,4-dihydroxy-2-keto-5-phosphato-pentyl]amino]benzoate Formula: C12H13NO9P-3 MolecularWeight: 346.206681

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NCC(=O)C(C(COP(=O)([O-])[O-])O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NCC(=O)[C@H]([C@H](COP(=O)([O-])[O-])O)O

InChI

InChI=1S/C12H16NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,10-11,13,15-16H,5-6H2,(H,17,18)(H2,19,20,21)/p-3/t10-,11+/m0/s1