bis(2-cyclohexylethyl) 4,6-dinitro-5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate

Systemtic Name: bis(2-cyclohexylethyl) 4,6-dinitro-5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate Openeye Name: bis(2-cyclohexylethyl) 4,6-dinitro-5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate CAS Name: 4,6-dinitro-5-(trioxidanylthio)benzene-1,3-dicarboxylic acid bis(2-cyclohexylethyl) ester IUPAC Name: bis(2-cyclohexylethyl) 4,6-dinitro-5-(trioxidanylsulfanyl)benzene-1,3-dicarboxylate Traditional Name: 4,6-dinitro-5-(trioxidanylthio)benzene-1,3-dicarboxylic acid bis(2-cyclohexylethyl) ester Formula: C24H32N2O11S MolecularWeight: 556.58268

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCOC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])SOOO)[N+](=O)[O-])C(=O)OCCC3CCCCC3

Isomeric SMILES

C1CCC(CC1)CCOC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])SOOO)[N+](=O)[O-])C(=O)OCCC3CCCCC3

InChI

InChI=1S/C24H32N2O11S/c27-23(34-13-11-16-7-3-1-4-8-16)18-15-19(24(28)35-14-12-17-9-5-2-6-10-17)21(26(31)32)22(38-37-36-33)20(18)25(29)30/h15-17,33H,1-14H2