calcium 9-ethyl-4,6-bis(oxidanylidene)-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid

Systemtic Name: calcium 9-ethyl-4,6-bis(oxidanylidene)-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid Openeye Name: calcium 9-ethyl-4,6-dioxo-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid CAS Name: calcium 9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylic acid IUPAC Name: calcium 9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylic acid Traditional Name: calcium 9-ethyl-4,6-diketo-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylic acid Formula: C19H17CaNO7+2 MolecularWeight: 411.41878

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.[Ca+2]

Isomeric SMILES

CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)O)C(=O)C=C(N2CC)C(=O)O.[Ca+2]

InChI

InChI=1S/C19H17NO7.Ca/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11;/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26);/q;+2