[2-nitro-6-(trifluoromethyl)phenyl]methyl 4-methoxybenzenesulfonate

Systemtic Name: [2-nitro-6-(trifluoromethyl)phenyl]methyl 4-methoxybenzenesulfonate Openeye Name: [2-nitro-6-(trifluoromethyl)phenyl]methyl 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-nitro-6-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-nitro-6-(trifluoromethyl)phenyl]methyl 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-nitro-6-(trifluoromethyl)benzyl] ester Formula: C15H12F3NO6S MolecularWeight: 391.31909

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H12F3NO6S/c1-24-10-5-7-11(8-6-10)26(22,23)25-9-12-13(15(16,17)18)3-2-4-14(12)19(20)21/h2-8H,9H2,1H3