(2,6-ditert-butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate

Systemtic Name: (2,6-ditert-butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate Openeye Name: (2,6-ditert-butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate CAS Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetic acid (2,6-ditert-butylphenyl) ester IUPAC Name: (2,6-ditert-butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate Traditional Name: 2-(2-nitro-4-triflyl-phenyl)sulfinylacetic acid (2,6-ditert-butylphenyl) ester Formula: C23H26F3NO7S2 MolecularWeight: 549.58025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26F3NO7S2/c1-21(2,3)15-8-7-9-16(22(4,5)6)20(15)34-19(28)13-35(31)18-11-10-14(12-17(18)27(29)30)36(32,33)23(24,25)26/h7-12H,13H2,1-6H3