bis[[2-nitro-6-(trifluoromethyl)phenyl]methyl] benzene-1,3-disulfonate

Systemtic Name: bis[[2-nitro-6-(trifluoromethyl)phenyl]methyl] benzene-1,3-disulfonate Openeye Name: bis[[2-nitro-6-(trifluoromethyl)phenyl]methyl] benzene-1,3-disulfonate CAS Name: benzene-1,3-disulfonic acid bis[[2-nitro-6-(trifluoromethyl)phenyl]methyl] ester IUPAC Name: bis[[2-nitro-6-(trifluoromethyl)phenyl]methyl] benzene-1,3-disulfonate Traditional Name: benzene-1,3-disulfonic acid bis[2-nitro-6-(trifluoromethyl)benzyl] ester Formula: C22H14F6N2O10S2 MolecularWeight: 644.474379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])C(F)(F)F)S(=O)(=O)OCC3=C(C=CC=C3[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OCC2=C(C=CC=C2[N+](=O)[O-])C(F)(F)F)S(=O)(=O)OCC3=C(C=CC=C3[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C22H14F6N2O10S2/c23-21(24,25)17-6-2-8-19(29(31)32)15(17)11-39-41(35,36)13-4-1-5-14(10-13)42(37,38)40-12-16-18(22(26,27)28)7-3-9-20(16)30(33)34/h1-10H,11-12H2