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methyl 3-nitro-5-phenylmethoxy-4-(trifluoromethylsulfonyloxy)benzoate

methyl 3-nitro-5-phenylmethoxy-4-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name:methyl 3-nitro-5-phenylmethoxy-4-(trifluoromethylsulfonyloxy)benzoate
Openeye Name:methyl 3-benzyloxy-5-nitro-4-(trifluoromethylsulfonyloxy)benzoate
CAS Name:3-nitro-5-phenylmethoxy-4-(trifluoromethylsulfonyloxy)benzoic acid methyl ester
IUPAC Name:methyl 3-nitro-5-phenylmethoxy-4-(trifluoromethylsulfonyloxy)benzoate
Traditional Name:3-benzoxy-5-nitro-4-triflyloxy-benzoic acid methyl ester
Formula: C16H12F3NO8S
MolecularWeight: 435.32859
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]


Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)OCC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F)[N+](=O)[O-]


InChI

InChI=1S/C16H12F3NO8S/c1-26-15(21)11-7-12(20(22)23)14(28-29(24,25)16(17,18)19)13(8-11)27-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3


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