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

Systemtic Name: disodium 4-oxidanylidene-6-(phenylsulfonyl)-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate Openeye Name: disodium 6-(benzenesulfonyl)-4-oxo-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate CAS Name: disodium 6-(benzenesulfonyl)-4-oxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate IUPAC Name: disodium 6-(benzenesulfonyl)-4-oxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate Traditional Name: disodium 6-besyl-4-keto-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate Formula: C23H15NNa2O8S MolecularWeight: 511.41164

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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)C4=CC=CC=C4.[Na+].[Na+]

Isomeric SMILES

CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=CC(=N2)C(=O)[O-])S(=O)(=O)C4=CC=CC=C4.[Na+].[Na+]

InChI

InChI=1S/C23H17NO8S.2Na/c1-2-6-13-20-15(9-14-17(25)11-18(23(28)29)32-21(13)14)19(10-16(24-20)22(26)27)33(30,31)12-7-4-3-5-8-12;;/h3-5,7-11H,2,6H2,1H3,(H,26,27)(H,28,29);;/q;2*+1/p-2