[3-(trifluoromethyl)phenyl] 4-[(2-chloranyl-4-nitro-phenoxy)methyl]benzenesulfonate

Systemtic Name: [3-(trifluoromethyl)phenyl] 4-[(2-chloranyl-4-nitro-phenoxy)methyl]benzenesulfonate Openeye Name: [3-(trifluoromethyl)phenyl] 4-[(2-chloro-4-nitro-phenoxy)methyl]benzenesulfonate CAS Name: 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 4-[(2-chloro-4-nitrophenoxy)methyl]benzenesulfonate Traditional Name: 4-[(2-chloro-4-nitro-phenoxy)methyl]benzenesulfonic acid [3-(trifluoromethyl)phenyl] ester Formula: C20H13ClF3NO6S MolecularWeight: 487.83353

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)COC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(F)(F)F

InChI

InChI=1S/C20H13ClF3NO6S/c21-18-11-15(25(26)27)6-9-19(18)30-12-13-4-7-17(8-5-13)32(28,29)31-16-3-1-2-14(10-16)20(22,23)24/h1-11H,12H2