[2,5-dimethoxy-4-(3-nitro-4-phenylmethoxy-phenyl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2,5-dimethoxy-4-(3-nitro-4-phenylmethoxy-phenyl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(4-benzyloxy-3-nitro-phenyl)-2,5-dimethoxy-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2,5-dimethoxy-4-(3-nitro-4-phenylmethoxyphenyl)phenyl] ester IUPAC Name: [2,5-dimethoxy-4-(3-nitro-4-phenylmethoxyphenyl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(4-benzoxy-3-nitro-phenyl)-2,5-dimethoxy-phenyl] ester Formula: C22H18F3NO8S MolecularWeight: 513.44043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-])OC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC(=C(C=C2)OCC3=CC=CC=C3)[N+](=O)[O-])OC)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C22H18F3NO8S/c1-31-19-12-21(34-35(29,30)22(23,24)25)20(32-2)11-16(19)15-8-9-18(17(10-15)26(27)28)33-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3