tris(2-cyclohexylethyl) 2,4-dinitro-6-oxidanidylperoxysulfanyl-benzene-1,3,5-tricarboxylate

Systemtic Name: tris(2-cyclohexylethyl) 2,4-dinitro-6-oxidanidylperoxysulfanyl-benzene-1,3,5-tricarboxylate Openeye Name: tris(2-cyclohexylethyl) 2,4-dinitro-6-oxidoperoxysulfanyl-benzene-1,3,5-tricarboxylate CAS Name: 2,4-dinitro-6-(oxidodioxythio)benzene-1,3,5-tricarboxylic acid tris(2-cyclohexylethyl) ester IUPAC Name: tris(2-cyclohexylethyl) 2,4-dinitro-6-oxidoperoxysulfanylbenzene-1,3,5-tricarboxylate Traditional Name: 2,4-dinitro-6-(oxidoperoxythio)benzene-1,3,5-tricarboxylic acid tris(2-cyclohexylethyl) ester Formula: C33H45N2O13S- MolecularWeight: 709.781

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC(=O)C2=C(C(=C(C(=C2[N+](=O)[O-])C(=O)OCCC3CCCCC3)SOO[O-])C(=O)OCCC4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCOC(=O)C2=C(C(=C(C(=C2[N+](=O)[O-])C(=O)OCCC3CCCCC3)SOO[O-])C(=O)OCCC4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C33H46N2O13S/c36-31(44-19-16-22-10-4-1-5-11-22)25-28(34(39)40)26(32(37)45-20-17-23-12-6-2-7-13-23)30(49-48-47-43)27(29(25)35(41)42)33(38)46-21-18-24-14-8-3-9-15-24/h22-24,43H,1-21H2/p-1