(2,5-dimethoxy-3-nitro-phenyl)methylidene-(phenylmethyl)oxidanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (2,5-dimethoxy-3-nitro-phenyl)methylidene-(phenylmethyl)oxidanium; tris(fluoranyl)methanesulfonate Openeye Name: benzyl-[(2,5-dimethoxy-3-nitro-phenyl)methylene]oxonium; trifluoromethanesulfonate CAS Name: (2,5-dimethoxy-3-nitrophenyl)methylidene-(phenylmethyl)oxonium; trifluoromethanesulfonate IUPAC Name: benzyl-[(2,5-dimethoxy-3-nitrophenyl)methylidene]oxidanium; trifluoromethanesulfonate Traditional Name: benzyl-(2,5-dimethoxy-3-nitro-benzylidene)oxonium triflate Formula: C17H16F3NO8S MolecularWeight: 451.37105

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C=[O+]CC2=CC=CC=C2)OC)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC(=C(C(=C1)C=[O+]CC2=CC=CC=C2)OC)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H16NO5.CHF3O3S/c1-20-14-8-13(16(21-2)15(9-14)17(18)19)11-22-10-12-6-4-3-5-7-12;2-1(3,4)8(5,6)7/h3-9,11H,10H2,1-2H3;(H,5,6,7)/q+1;/p-1