methyl 4-methyl-2,6-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzoate

Systemtic Name: methyl 4-methyl-2,6-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzoate Openeye Name: methyl 4-methyl-2,6-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzoate CAS Name: 4-methyl-2,6-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-2,6-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzoate Traditional Name: 4-methyl-2,6-bis(2-nitro-4-triflyl-phenoxy)benzoic acid methyl ester Formula: C23H14F6N2O12S2 MolecularWeight: 688.483879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C(=O)OC)OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C(=O)OC)OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H14F6N2O12S2/c1-11-7-18(42-16-5-3-12(9-14(16)30(33)34)44(37,38)22(24,25)26)20(21(32)41-2)19(8-11)43-17-6-4-13(10-15(17)31(35)36)45(39,40)23(27,28)29/h3-10H,1-2H3