disodium 6-ethylsulfonyl-4-oxidanylidene-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate

Systemtic Name: disodium 6-ethylsulfonyl-4-oxidanylidene-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate Openeye Name: disodium 6-ethylsulfonyl-4-oxo-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate CAS Name: disodium 6-ethylsulfonyl-4-oxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate IUPAC Name: disodium 6-ethylsulfonyl-4-oxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate Traditional Name: disodium 6-esyl-4-keto-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate Formula: C19H15NNa2O8S MolecularWeight: 463.36884

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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-])S(=O)(=O)CC.[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO8S.2Na/c1-3-5-9-16-11(6-10-13(21)8-14(19(24)25)28-17(9)10)15(29(26,27)4-2)7-12(20-16)18(22)23;;/h6-8H,3-5H2,1-2H3,(H,22,23)(H,24,25);;/q;2*+1/p-2