trisodium 4-oxidanylidene-10-propyl-pyrano[3,2-g]quinoline-2,6,8-tricarboxylate

Systemtic Name: trisodium 4-oxidanylidene-10-propyl-pyrano[3,2-g]quinoline-2,6,8-tricarboxylate Openeye Name: trisodium 4-oxo-10-propyl-pyrano[3,2-g]quinoline-2,6,8-tricarboxylate CAS Name: trisodium 4-oxo-10-propylpyrano[3,2-g]quinoline-2,6,8-tricarboxylate IUPAC Name: trisodium 4-oxo-10-propylpyrano[3,2-g]quinoline-2,6,8-tricarboxylate Traditional Name: trisodium 4-keto-10-propyl-pyrano[3,2-g]quinoline-2,6,8-tricarboxylate Formula: C18H10NNa3O8 MolecularWeight: 437.24321

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=CC(=N2)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=CC(=N2)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H13NO8.3Na/c1-2-3-7-14-8(9(16(21)22)5-11(19-14)17(23)24)4-10-12(20)6-13(18(25)26)27-15(7)10;;;/h4-6H,2-3H2,1H3,(H,21,22)(H,23,24)(H,25,26);;;/q;3*+1/p-3