6-chloranyl-7-(4-ethynyl-2-methyl-phenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-chloranyl-7-(4-ethynyl-2-methyl-phenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-chloro-7-(4-ethynyl-2-methyl-phenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-chloro-7-(4-ethynyl-2-methylphenoxy)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-chloro-7-(4-ethynyl-2-methylphenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-chloro-7-(4-ethynyl-2-methyl-phenoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C20H12ClF3O4 MolecularWeight: 408.75509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#C)OC2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C#C)OC2=C(C=C3C=C(C(OC3=C2)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C20H12ClF3O4/c1-3-11-4-5-15(10(2)6-11)27-17-9-16-12(8-14(17)21)7-13(19(25)26)18(28-16)20(22,23)24/h1,4-9,18H,2H3,(H,25,26)