2-[4-oxidanylidene-5-[5-[6-(trifluoromethyl)quinolin-4-yl]oxypentoxy]pyran-2-yl]ethanesulfonate

Systemtic Name: 2-[4-oxidanylidene-5-[5-[6-(trifluoromethyl)quinolin-4-yl]oxypentoxy]pyran-2-yl]ethanesulfonate Openeye Name: 2-[4-oxo-5-[5-[[6-(trifluoromethyl)-4-quinolyl]oxy]pentoxy]pyran-2-yl]ethanesulfonate CAS Name: 2-[4-oxo-5-[5-[[6-(trifluoromethyl)-4-quinolinyl]oxy]pentoxy]-2-pyranyl]ethanesulfonate IUPAC Name: 2-[4-oxo-5-[5-[6-(trifluoromethyl)quinolin-4-yl]oxypentoxy]pyran-2-yl]ethanesulfonate Traditional Name: 2-[4-keto-5-[5-[[6-(trifluoromethyl)-4-quinolyl]oxy]pentoxy]pyran-2-yl]ethanesulfonate Formula: C22H21F3NO7S- MolecularWeight: 500.46485

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=CC(=C2C=C1C(F)(F)F)OCCCCCOC3=COC(=CC3=O)CCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=NC=CC(=C2C=C1C(F)(F)F)OCCCCCOC3=COC(=CC3=O)CCS(=O)(=O)[O-]

InChI

InChI=1S/C22H22F3NO7S/c23-22(24,25)15-4-5-18-17(12-15)20(6-8-26-18)31-9-2-1-3-10-32-21-14-33-16(13-19(21)27)7-11-34(28,29)30/h4-6,8,12-14H,1-3,7,9-11H2,(H,28,29,30)/p-1