(4-methylsulfonylphenyl) 2-(trifluoromethyl)-2H-chromene-3-carboxylate

Systemtic Name: (4-methylsulfonylphenyl) 2-(trifluoromethyl)-2H-chromene-3-carboxylate Openeye Name: (4-methylsulfonylphenyl) 2-(trifluoromethyl)-2H-chromene-3-carboxylate CAS Name: 2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid (4-methylsulfonylphenyl) ester IUPAC Name: (4-methylsulfonylphenyl) 2-(trifluoromethyl)-2H-chromene-3-carboxylate Traditional Name: 2-(trifluoromethyl)-2H-chromene-3-carboxylic acid (4-mesylphenyl) ester Formula: C18H13F3O5S MolecularWeight: 398.35303

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3OC2C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=CC=CC=C3OC2C(F)(F)F

InChI

InChI=1S/C18H13F3O5S/c1-27(23,24)13-8-6-12(7-9-13)25-17(22)14-10-11-4-2-3-5-15(11)26-16(14)18(19,20)21/h2-10,16H,1H3