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

Systemtic Name: 5-oxidanyl-4-oxidanylidene-5-(2-oxidanylidenepropyl)-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Openeye Name: 5-acetonyl-5-hydroxy-4-oxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid CAS Name: 5-hydroxy-4-oxo-5-(2-oxopropyl)-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid IUPAC Name: 5-hydroxy-4-oxo-5-(2-oxopropyl)-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Traditional Name: 5-acetonyl-5-hydroxy-4-keto-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid Formula: C17H12N2O9 MolecularWeight: 388.28518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1(C2=C(C(=CC(=N2)C(=O)O)C(=O)O)C3=C(C1=O)C=C(N3)C(=O)O)O

Isomeric SMILES

CC(=O)CC1(C2=C(C(=CC(=N2)C(=O)O)C(=O)O)C3=C(C1=O)C=C(N3)C(=O)O)O

InChI

InChI=1S/C17H12N2O9/c1-5(20)4-17(28)12-10(6(14(22)23)2-9(19-12)16(26)27)11-7(13(17)21)3-8(18-11)15(24)25/h2-3,18,28H,4H2,1H3,(H,22,23)(H,24,25)(H,26,27)