dipotassium 3-[(4-carboxylatophenyl)methyl]-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-oxidanylidene-quinoline-2-carboxylate

Systemtic Name: dipotassium 3-[(4-carboxylatophenyl)methyl]-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-4-oxidanylidene-quinoline-2-carboxylate Openeye Name: dipotassium 3-[(4-carboxylatophenyl)methyl]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxo-quinoline-2-carboxylate CAS Name: dipotassium 3-[(4-carboxylatophenyl)methyl]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-quinolinecarboxylate IUPAC Name: dipotassium 3-[(4-carboxylatophenyl)methyl]-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-oxoquinoline-2-carboxylate Traditional Name: dipotassium 3-(4-carboxylatobenzyl)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-keto-quinaldate Formula: C26H16ClK2NO7 MolecularWeight: 568.05734

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C4=CC=CC=C4C(=O)C(=C3C(=O)[O-])CC5=CC=C(C=C5)C(=O)[O-])Cl.[K+].[K+]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C4=CC=CC=C4C(=O)C(=C3C(=O)[O-])CC5=CC=C(C=C5)C(=O)[O-])Cl.[K+].[K+]

InChI

InChI=1S/C26H18ClNO7.2K/c27-19-11-22-21(34-13-35-22)10-16(19)12-28-20-4-2-1-3-17(20)24(29)18(23(28)26(32)33)9-14-5-7-15(8-6-14)25(30)31;;/h1-8,10-11H,9,12-13H2,(H,30,31)(H,32,33);;/q;2*+1/p-2