6-(3-chloranyl-4-methoxy-phenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-(3-chloranyl-4-methoxy-phenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-(3-chloro-4-methoxy-phenoxy)-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-(3-chloro-4-methoxyphenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-(3-chloro-4-methoxyphenoxy)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-(3-chloro-4-methoxy-phenoxy)-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C18H14ClF3O5 MolecularWeight: 402.74897

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)OC(C(C3)C(=O)O)C(F)(F)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)OC2=CC3=C(C=C2)OC(C(C3)C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C18H14ClF3O5/c1-25-15-5-3-11(8-13(15)19)26-10-2-4-14-9(6-10)7-12(17(23)24)16(27-14)18(20,21)22/h2-6,8,12,16H,7H2,1H3,(H,23,24)