1-methylsulfonyl-1,1-dinitro-ethane

Systemtic Name: 1-methylsulfonyl-1,1-dinitro-ethane Openeye Name: 1-methylsulfonyl-1,1-dinitro-ethane CAS Name: 1-methylsulfonyl-1,1-dinitroethane IUPAC Name: 1-methylsulfonyl-1,1-dinitroethane Traditional Name: 1-mesyl-1,1-dinitro-ethane Formula: C3H6N2O6S MolecularWeight: 198.15454

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+](=O)[O-])([N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC([N+](=O)[O-])([N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C3H6N2O6S/c1-3(4(6)7,5(8)9)12(2,10)11/h1-2H3