tert-butyl 2-[bis(2-methylsulfonyloxyethyl)amino]-3,5-dinitro-benzoate

Systemtic Name: tert-butyl 2-[bis(2-methylsulfonyloxyethyl)amino]-3,5-dinitro-benzoate Openeye Name: tert-butyl 2-[bis(2-methylsulfonyloxyethyl)amino]-3,5-dinitro-benzoate CAS Name: 2-[bis(2-methylsulfonyloxyethyl)amino]-3,5-dinitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[bis(2-methylsulfonyloxyethyl)amino]-3,5-dinitrobenzoate Traditional Name: 2-[bis(2-methylsulfonyloxyethyl)amino]-3,5-dinitro-benzoic acid tert-butyl ester Formula: C17H25N3O12S2 MolecularWeight: 527.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CC(=C1N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC(=C1N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O12S2/c1-17(2,3)32-16(21)13-10-12(19(22)23)11-14(20(24)25)15(13)18(6-8-30-33(4,26)27)7-9-31-34(5,28)29/h10-11H,6-9H2,1-5H3