diethyl 2,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzene-1,4-dicarboxylate Openeye Name: diethyl 2,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzene-1,4-dicarboxylate CAS Name: 2,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]benzene-1,4-dicarboxylate Traditional Name: 2,5-bis(2-nitro-4-triflyl-phenoxy)benzene-1,4-dicarboxylic acid diethyl ester Formula: C26H18F6N2O14S2 MolecularWeight: 760.546539

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C(=O)OCC)OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1OC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])C(=O)OCC)OC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C26H18F6N2O14S2/c1-3-45-23(35)15-11-22(48-20-8-6-14(10-18(20)34(39)40)50(43,44)26(30,31)32)16(24(36)46-4-2)12-21(15)47-19-7-5-13(9-17(19)33(37)38)49(41,42)25(27,28)29/h5-12H,3-4H2,1-2H3