potassium 2-(5-heptylfuran-2-yl)-6,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: potassium 2-(5-heptylfuran-2-yl)-6,8-dimethyl-quinoline-4-carboxylate Openeye Name: potassium 2-(5-heptyl-2-furyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: potassium 2-(5-heptyl-2-furanyl)-6,8-dimethyl-4-quinolinecarboxylate IUPAC Name: potassium 2-(5-heptylfuran-2-yl)-6,8-dimethylquinoline-4-carboxylate Traditional Name: potassium 2-(5-heptyl-2-furyl)-6,8-dimethyl-cinchoninate Formula: C23H26KNO3 MolecularWeight: 403.55574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(O1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)[O-])C)C.[K+]

Isomeric SMILES

CCCCCCCC1=CC=C(O1)C2=NC3=C(C=C(C=C3C(=C2)C(=O)[O-])C)C.[K+]

InChI

InChI=1S/C23H27NO3.K/c1-4-5-6-7-8-9-17-10-11-21(27-17)20-14-19(23(25)26)18-13-15(2)12-16(3)22(18)24-20;/h10-14H,4-9H2,1-3H3,(H,25,26);/q;+1/p-1