2,4-bis[[2-nitro-6-(trifluoromethyl)phenyl]methyl]benzene-1,3-disulfonate

Systemtic Name: 2,4-bis[[2-nitro-6-(trifluoromethyl)phenyl]methyl]benzene-1,3-disulfonate Openeye Name: 2,4-bis[[2-nitro-6-(trifluoromethyl)phenyl]methyl]benzene-1,3-disulfonate CAS Name: 2,4-bis[[2-nitro-6-(trifluoromethyl)phenyl]methyl]benzene-1,3-disulfonate IUPAC Name: 2,4-bis[[2-nitro-6-(trifluoromethyl)phenyl]methyl]benzene-1,3-disulfonate Traditional Name: 2,4-bis[2-nitro-6-(trifluoromethyl)benzyl]benzene-1,3-disulfonate Formula: C22H12F6N2O10S2-2 MolecularWeight: 642.458499

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])CC2=C(C(=C(C=C2)S(=O)(=O)[O-])CC3=C(C=CC=C3[N+](=O)[O-])C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])CC2=C(C(=C(C=C2)S(=O)(=O)[O-])CC3=C(C=CC=C3[N+](=O)[O-])C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

InChI

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