2-[(2,4-dinitrophenyl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate

Systemtic Name: 2-[(2,4-dinitrophenyl)-(2-methylsulfonyloxyethyl)amino]ethyl methanesulfonate Openeye Name: 2-[N-(2-methylsulfonyloxyethyl)-2,4-dinitro-anilino]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[N-(2-methylsulfonyloxyethyl)-2,4-dinitroanilino]ethyl ester IUPAC Name: 2-[N-(2-methylsulfonyloxyethyl)-2,4-dinitroanilino]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[N-(2-methylsulfonyloxyethyl)-2,4-dinitro-anilino]ethyl ester Formula: C12H17N3O10S2 MolecularWeight: 427.40748

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O10S2/c1-26(20,21)24-7-5-13(6-8-25-27(2,22)23)11-4-3-10(14(16)17)9-12(11)15(18)19/h3-4,9H,5-8H2,1-2H3