disodium 6-(1,3-dioxan-2-yl)-4-oxidanylidene-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate

Systemtic Name: disodium 6-(1,3-dioxan-2-yl)-4-oxidanylidene-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate Openeye Name: disodium 6-(1,3-dioxan-2-yl)-4-oxo-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate CAS Name: disodium 6-(1,3-dioxan-2-yl)-4-oxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate IUPAC Name: disodium 6-(1,3-dioxan-2-yl)-4-oxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate Traditional Name: disodium 6-(1,3-dioxan-2-yl)-4-keto-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate Formula: C21H17NNa2O8 MolecularWeight: 457.34112

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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-])C4OCCCO4.[Na+].[Na+]

Isomeric SMILES

CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=CC(=N2)C(=O)[O-])C4OCCCO4.[Na+].[Na+]

InChI

InChI=1S/C21H19NO8.2Na/c1-2-4-10-17-11(7-13-15(23)9-16(20(26)27)30-18(10)13)12(8-14(22-17)19(24)25)21-28-5-3-6-29-21;;/h7-9,21H,2-6H2,1H3,(H,24,25)(H,26,27);;/q;2*+1/p-2