5-oxidanyl-4-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-phosphonooxy-propan-2-yl)amino]-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid

Systemtic Name: 5-oxidanyl-4-oxidanylidene-5-[(1-oxidanyl-1-oxidanylidene-3-phosphonooxy-propan-2-yl)amino]-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Openeye Name: 5-hydroxy-5-[[2-hydroxy-2-oxo-1-(phosphonooxymethyl)ethyl]amino]-4-oxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid CAS Name: 5-hydroxy-5-[(1-hydroxy-1-oxo-3-phosphonooxypropan-2-yl)amino]-4-oxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid IUPAC Name: 5-hydroxy-5-[(1-hydroxy-1-oxo-3-phosphonooxypropan-2-yl)amino]-4-oxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Traditional Name: 5-hydroxy-5-[[2-hydroxy-2-keto-1-(phosphonooxymethyl)ethyl]amino]-4-keto-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Formula: C17H14N3O14P MolecularWeight: 515.278521

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(C(C(=O)C3=C2NC(=C3)C(=O)O)(NC(COP(=O)(O)O)C(=O)O)O)N=C1C(=O)O)C(=O)O

Isomeric SMILES

C1=C(C2=C(C(C(=O)C3=C2NC(=C3)C(=O)O)(NC(COP(=O)(O)O)C(=O)O)O)N=C1C(=O)O)C(=O)O

InChI

InChI=1S/C17H14N3O14P/c21-12-5-2-6(14(24)25)18-10(5)9-4(13(22)23)1-7(15(26)27)19-11(9)17(12,30)20-8(16(28)29)3-34-35(31,32)33/h1-2,8,18,20,30H,3H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H2,31,32,33)