(2,4-dinitronaphthalen-1-yl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate

Systemtic Name: (2,4-dinitronaphthalen-1-yl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate Openeye Name: (2,4-dinitro-1-naphthyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate CAS Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetic acid (2,4-dinitro-1-naphthalenyl) ester IUPAC Name: (2,4-dinitronaphthalen-1-yl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate Traditional Name: 2-(2-nitro-4-triflyl-phenyl)sulfinylacetic acid (2,4-dinitro-1-naphthyl) ester Formula: C19H10F3N3O11S2 MolecularWeight: 577.42141

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2OC(=O)CS(=O)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2OC(=O)CS(=O)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H10F3N3O11S2/c20-19(21,22)38(34,35)10-5-6-16(14(7-10)24(29)30)37(33)9-17(26)36-18-12-4-2-1-3-11(12)13(23(27)28)8-15(18)25(31)32/h1-8H,9H2