methyl 3-chloranylsulfonyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-chloranylsulfonyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate Openeye Name: methyl 3-chlorosulfonyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate CAS Name: 3-chlorosulfonyl-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-chlorosulfonyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate Traditional Name: 3-chlorosulfonyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic acid methyl ester Formula: C13H8ClF3O4S2 MolecularWeight: 384.77843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(S1)C(F)(F)F)C2=CC=CC=C2)S(=O)(=O)Cl

Isomeric SMILES

COC(=O)C1=C(C(=C(S1)C(F)(F)F)C2=CC=CC=C2)S(=O)(=O)Cl

InChI

InChI=1S/C13H8ClF3O4S2/c1-21-12(18)9-10(23(14,19)20)8(7-5-3-2-4-6-7)11(22-9)13(15,16)17/h2-6H,1H3