[3-(2,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate

Systemtic Name: [3-(2,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate Openeye Name: [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [3-(2,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C23H15F3O5S MolecularWeight: 460.42241

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4)C(F)(F)F

InChI

InChI=1S/C23H15F3O5S/c1-12-5-6-13(2)16(10-12)30-20-19(27)15-8-7-14(29-22(28)18-4-3-9-32-18)11-17(15)31-21(20)23(24,25)26/h3-11H,1-2H3