6-chloranyl-7-(1-oxidanidylpyridin-1-ium-3-yl)oxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(1-oxidanidylpyridin-1-ium-3-yl)oxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(1-oxidopyridin-1-ium-3-yl)oxy-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-chloro-7-[(1-oxido-3-pyridin-1-iumyl)oxy]-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(1-oxidopyridin-1-ium-3-yl)oxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-(1-oxidopyridin-1-ium-3-yl)oxy-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C16H11ClF3NO5 MolecularWeight: 389.71045

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=C(C=C21)Cl)OC3=C[N+](=CC=C3)[O-])C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(C(OC2=CC(=C(C=C21)Cl)OC3=C[N+](=CC=C3)[O-])C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H11ClF3NO5/c17-11-5-8-4-10(15(22)23)14(16(18,19)20)26-12(8)6-13(11)25-9-2-1-3-21(24)7-9/h1-3,5-7,10,14H,4H2,(H,22,23)