6-chloranyl-7-(5-chloranyl-1-oxidanidyl-pyridin-1-ium-2-yl)oxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(5-chloranyl-1-oxidanidyl-pyridin-1-ium-2-yl)oxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(5-chloro-1-oxido-pyridin-1-ium-2-yl)oxy-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-chloro-7-[(5-chloro-1-oxido-2-pyridin-1-iumyl)oxy]-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(5-chloro-1-oxidopyridin-1-ium-2-yl)oxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-(5-chloro-1-oxido-pyridin-1-ium-2-yl)oxy-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C16H10Cl2F3NO5 MolecularWeight: 424.15551

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10Cl2F3NO5/c17-8-1-2-13(22(25)6-8)26-12-5-11-7(4-10(12)18)3-9(15(23)24)14(27-11)16(19,20)21/h1-2,4-6,9,14H,3H2,(H,23,24)