6-chloranyl-7-(4-cyanophenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(4-cyanophenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(4-cyanophenoxy)-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-chloro-7-(4-cyanophenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(4-cyanophenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-(4-cyanophenoxy)-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C18H11ClF3NO4 MolecularWeight: 397.73245

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=C(C=C21)Cl)OC3=CC=C(C=C3)C#N)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(C(OC2=CC(=C(C=C21)Cl)OC3=CC=C(C=C3)C#N)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H11ClF3NO4/c19-13-6-10-5-12(17(24)25)16(18(20,21)22)27-14(10)7-15(13)26-11-3-1-9(8-23)2-4-11/h1-4,6-7,12,16H,5H2,(H,24,25)