methyl 4-[bis(2-methylsulfonyloxyethyl)amino]-3,5-dinitro-benzoate

Systemtic Name: methyl 4-[bis(2-methylsulfonyloxyethyl)amino]-3,5-dinitro-benzoate Openeye Name: methyl 4-[bis(2-methylsulfonyloxyethyl)amino]-3,5-dinitro-benzoate CAS Name: 4-[bis(2-methylsulfonyloxyethyl)amino]-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-[bis(2-methylsulfonyloxyethyl)amino]-3,5-dinitrobenzoate Traditional Name: 4-[bis(2-methylsulfonyloxyethyl)amino]-3,5-dinitro-benzoic acid methyl ester Formula: C14H19N3O12S2 MolecularWeight: 485.44356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O12S2/c1-27-14(18)10-8-11(16(19)20)13(12(9-10)17(21)22)15(4-6-28-30(2,23)24)5-7-29-31(3,25)26/h8-9H,4-7H2,1-3H3