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

Systemtic Name: disodium 4-oxidanylidene-6-[(E)-2-phenylethenyl]-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate Openeye Name: disodium 4-oxo-10-propyl-6-[(E)-styryl]pyrano[3,2-g]quinoline-2,8-dicarboxylate CAS Name: disodium 4-oxo-6-[(E)-2-phenylethenyl]-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate IUPAC Name: disodium 4-oxo-6-[(E)-2-phenylethenyl]-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate Traditional Name: disodium 4-keto-10-propyl-6-[(E)-styryl]pyrano[3,2-g]quinoline-2,8-dicarboxylate Formula: C25H17NNa2O6 MolecularWeight: 473.38512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=CC(=N2)C(=O)[O-])C=CC4=CC=CC=C4.[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C25H19NO6.2Na/c1-2-6-16-22-17(12-18-20(27)13-21(25(30)31)32-23(16)18)15(11-19(26-22)24(28)29)10-9-14-7-4-3-5-8-14;;/h3-5,7-13H,2,6H2,1H3,(H,28,29)(H,30,31);;/q;2*+1/p-2/b10-9+;;