(3-methyl-1-nitro-butan-2-yl) methanesulfonate

Systemtic Name: (3-methyl-1-nitro-butan-2-yl) methanesulfonate Openeye Name: [2-methyl-1-(nitromethyl)propyl] methanesulfonate CAS Name: methanesulfonic acid (3-methyl-1-nitrobutan-2-yl) ester IUPAC Name: (3-methyl-1-nitrobutan-2-yl) methanesulfonate Traditional Name: methanesulfonic acid [2-methyl-1-(nitromethyl)propyl] ester Formula: C6H13NO5S MolecularWeight: 211.23612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H13NO5S/c1-5(2)6(4-7(8)9)12-13(3,10)11/h5-6H,4H2,1-3H3