[3-(trifluoromethyl)phenyl] 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: [3-(trifluoromethyl)phenyl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [3-(trifluoromethyl)phenyl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [3-(trifluoromethyl)phenyl] 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)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

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

InChI

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