(3-nitrophenyl) 4-chloranyl-3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (3-nitrophenyl) 4-chloranyl-3-(trifluoromethyl)benzenesulfonate Openeye Name: (3-nitrophenyl) 4-chloro-3-(trifluoromethyl)benzenesulfonate CAS Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-chloro-3-(trifluoromethyl)benzenesulfonate Traditional Name: 4-chloro-3-(trifluoromethyl)benzenesulfonic acid (3-nitrophenyl) ester Formula: C13H7ClF3NO5S MolecularWeight: 381.71159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7ClF3NO5S/c14-12-5-4-10(7-11(12)13(15,16)17)24(21,22)23-9-3-1-2-8(6-9)18(19)20/h1-7H