2-cyclohexylethyl 3,5-dinitro-4-oxidanidylperoxysulfanyl-benzoate

Systemtic Name: 2-cyclohexylethyl 3,5-dinitro-4-oxidanidylperoxysulfanyl-benzoate Openeye Name: 2-cyclohexylethyl 3,5-dinitro-4-oxidoperoxysulfanyl-benzoate CAS Name: 3,5-dinitro-4-(oxidodioxythio)benzoic acid 2-cyclohexylethyl ester IUPAC Name: 2-cyclohexylethyl 3,5-dinitro-4-oxidoperoxysulfanylbenzoate Traditional Name: 3,5-dinitro-4-(oxidoperoxythio)benzoic acid 2-cyclohexylethyl ester Formula: C15H17N2O9S- MolecularWeight: 401.36848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O9S/c18-15(24-7-6-10-4-2-1-3-5-10)11-8-12(16(19)20)14(27-26-25-23)13(9-11)17(21)22/h8-10,23H,1-7H2/p-1