disodium 2-carboxy-9-ethyl-4,6-bis(oxidanylidene)-10-propyl-pyrano[3,2-g]quinoline-8-carboxylate

Systemtic Name: disodium 2-carboxy-9-ethyl-4,6-bis(oxidanylidene)-10-propyl-pyrano[3,2-g]quinoline-8-carboxylate Openeye Name: disodium 2-carboxy-9-ethyl-4,6-dioxo-10-propyl-pyrano[3,2-g]quinoline-8-carboxylate CAS Name: disodium 2-carboxy-9-ethyl-4,6-dioxo-10-propyl-8-pyrano[3,2-g]quinolinecarboxylate IUPAC Name: disodium 2-carboxy-9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-8-carboxylate Traditional Name: disodium 2-carboxy-9-ethyl-4,6-diketo-10-propyl-pyrano[3,2-g]quinoline-8-carboxylate Formula: C38H32N2Na2O14 MolecularWeight: 786.64522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)[O-].CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)[O-].CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C19H17NO7.2Na/c2*1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11;;/h2*6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26);;/q;;2*+1/p-2