ethyl 6-chloranyl-8-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-8-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate Openeye Name: ethyl 6-chloro-8-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate CAS Name: 6-chloro-8-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-8-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate Traditional Name: 6-chloro-8-(4-mesylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid ethyl ester Formula: C20H16ClF3O5S MolecularWeight: 460.85125

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CC(=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C)OC1C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CC(=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C)OC1C(F)(F)F

InChI

InChI=1S/C20H16ClF3O5S/c1-3-28-19(25)16-9-12-8-13(21)10-15(17(12)29-18(16)20(22,23)24)11-4-6-14(7-5-11)30(2,26)27/h4-10,18H,3H2,1-2H3