methyl 2-[3,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]ethanoate

Systemtic Name: methyl 2-[3,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]ethanoate Openeye Name: methyl 2-[3,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]acetate CAS Name: 2-[3,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3,5-bis[2-nitro-4-(trifluoromethylsulfonyl)phenoxy]phenyl]acetate Traditional Name: 2-[3,5-bis(2-nitro-4-triflyl-phenoxy)phenyl]acetic acid methyl ester Formula: C23H14F6N2O12S2 MolecularWeight: 688.483879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H14F6N2O12S2/c1-41-21(32)8-12-6-13(42-19-4-2-15(10-17(19)30(33)34)44(37,38)22(24,25)26)9-14(7-12)43-20-5-3-16(11-18(20)31(35)36)45(39,40)23(27,28)29/h2-7,9-11H,8H2,1H3