calcium 6-chloranyl-4-oxidanylidene-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate

Systemtic Name: calcium 6-chloranyl-4-oxidanylidene-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate Openeye Name: calcium 6-chloro-4-oxo-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate CAS Name: calcium 6-chloro-4-oxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate IUPAC Name: calcium 6-chloro-4-oxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate Traditional Name: calcium 6-chloro-4-keto-10-propyl-pyrano[3,2-g]quinoline-2,8-dicarboxylate Formula: C17H10CaClNO6 MolecularWeight: 399.7954

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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-])Cl.[Ca+2]

Isomeric SMILES

CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=CC(=N2)C(=O)[O-])Cl.[Ca+2]

InChI

InChI=1S/C17H12ClNO6.Ca/c1-2-3-7-14-8(10(18)5-11(19-14)16(21)22)4-9-12(20)6-13(17(23)24)25-15(7)9;/h4-6H,2-3H2,1H3,(H,21,22)(H,23,24);/q;+2/p-2