[3,5-bis(trifluoromethyl)phenyl] 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: [3,5-bis(trifluoromethyl)phenyl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [3,5-bis(trifluoromethyl)phenyl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [3,5-bis(trifluoromethyl)phenyl] ester IUPAC Name: [3,5-bis(trifluoromethyl)phenyl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [3,5-bis(trifluoromethyl)phenyl] ester Formula: C14H6ClF6NO5S MolecularWeight: 449.709559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H6ClF6NO5S/c15-11-2-1-10(6-12(11)22(23)24)28(25,26)27-9-4-7(13(16,17)18)3-8(5-9)14(19,20)21/h1-6H