sodium 7-chloranyl-3-phenylmethoxy-6-[2,2,2-tris(fluoranyl)ethoxy]quinoline-2-carboxylate

Systemtic Name: sodium 7-chloranyl-3-phenylmethoxy-6-[2,2,2-tris(fluoranyl)ethoxy]quinoline-2-carboxylate Openeye Name: sodium 3-benzyloxy-7-chloro-6-(2,2,2-trifluoroethoxy)quinoline-2-carboxylate CAS Name: sodium 7-chloro-3-phenylmethoxy-6-(2,2,2-trifluoroethoxy)-2-quinolinecarboxylate IUPAC Name: sodium 7-chloro-3-phenylmethoxy-6-(2,2,2-trifluoroethoxy)quinoline-2-carboxylate Traditional Name: sodium 3-benzoxy-7-chloro-6-(2,2,2-trifluoroethoxy)quinaldate Formula: C19H12ClF3NNaO4 MolecularWeight: 433.74086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=CC(=C(C=C3N=C2C(=O)[O-])Cl)OCC(F)(F)F.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=CC(=C(C=C3N=C2C(=O)[O-])Cl)OCC(F)(F)F.[Na+]

InChI

InChI=1S/C19H13ClF3NO4.Na/c20-13-8-14-12(6-15(13)28-10-19(21,22)23)7-16(17(24-14)18(25)26)27-9-11-4-2-1-3-5-11;/h1-8H,9-10H2,(H,25,26);/q;+1/p-1