6-chloranyl-8-[2-(4-methoxyphenyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-8-[2-(4-methoxyphenyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-8-[2-(4-methoxyphenyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-8-[2-(4-methoxyphenyl)ethynyl]-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-8-[2-(4-methoxyphenyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-8-[2-(4-methoxyphenyl)ethynyl]-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C20H12ClF3O4 MolecularWeight: 408.75509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=CC(=CC3=C2OC(C(=C3)C(=O)O)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=CC(=CC3=C2OC(C(=C3)C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C20H12ClF3O4/c1-27-15-6-3-11(4-7-15)2-5-12-8-14(21)9-13-10-16(19(25)26)18(20(22,23)24)28-17(12)13/h3-4,6-10,18H,1H3,(H,25,26)