[5-[(2-carboxyphenyl)amino]-2,3-bis(oxidanyl)-4-oxidanylidene-pentyl] phosphate

Systemtic Name: [5-[(2-carboxyphenyl)amino]-2,3-bis(oxidanyl)-4-oxidanylidene-pentyl] phosphate Openeye Name: [5-(2-carboxyanilino)-2,3-dihydroxy-4-oxo-pentyl] phosphate CAS Name: [5-(2-carboxyanilino)-2,3-dihydroxy-4-oxopentyl] phosphate IUPAC Name: [5-(2-carboxyanilino)-2,3-dihydroxy-4-oxopentyl] phosphate Traditional Name: [5-(2-carboxyanilino)-2,3-dihydroxy-4-keto-pentyl] phosphate Formula: C12H14NO9P-2 MolecularWeight: 347.214621

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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(C(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-2