methyl 5-[2-chloranyl-4-(trifluoromethyl)phenyl]sulfinyl-2-nitro-benzoate

Systemtic Name: methyl 5-[2-chloranyl-4-(trifluoromethyl)phenyl]sulfinyl-2-nitro-benzoate Openeye Name: methyl 5-[2-chloro-4-(trifluoromethyl)phenyl]sulfinyl-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenyl]sulfinyl-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 5-[2-chloro-4-(trifluoromethyl)phenyl]sulfinyl-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenyl]sulfinyl-2-nitro-benzoic acid methyl ester Formula: C15H9ClF3NO5S MolecularWeight: 407.74887

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)S(=O)C2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)S(=O)C2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H9ClF3NO5S/c1-25-14(21)10-7-9(3-4-12(10)20(22)23)26(24)13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3