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

Systemtic Name: calcium 9-ethyl-4,6-bis(oxidanylidene)-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate Openeye Name: calcium 9-ethyl-4,6-dioxo-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate CAS Name: calcium 9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate IUPAC Name: calcium 9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate Traditional Name: calcium 9-ethyl-4,6-diketo-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate Formula: C19H15CaNO7 MolecularWeight: 409.4029

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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/p-2