[3-(2-bromanylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate

Systemtic Name: [3-(2-bromanylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate Openeye Name: [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-(2-bromophenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C21H10BrF3O5S MolecularWeight: 511.26531

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4)C(F)(F)F)Br

Isomeric SMILES

C1=CC=C(C(=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4)C(F)(F)F)Br

InChI

InChI=1S/C21H10BrF3O5S/c22-13-4-1-2-5-14(13)29-18-17(26)12-8-7-11(28-20(27)16-6-3-9-31-16)10-15(12)30-19(18)21(23,24)25/h1-10H