4-[2-(4-methoxyphenyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 4-[2-(4-methoxyphenyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 4-[2-(4-methoxyphenyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 4-[2-(4-methoxyphenyl)ethynyl]-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 4-[2-(4-methoxyphenyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 4-[2-(4-methoxyphenyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C20H13F3O4 MolecularWeight: 374.31003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=C(C(OC3=CC=CC=C32)C(F)(F)F)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=C(C(OC3=CC=CC=C32)C(F)(F)F)C(=O)O

InChI

InChI=1S/C20H13F3O4/c1-26-13-9-6-12(7-10-13)8-11-15-14-4-2-3-5-16(14)27-18(20(21,22)23)17(15)19(24)25/h2-7,9-10,18H,1H3,(H,24,25)