methanesulfonic acid; (3-methyl-4-nitro-pyridin-2-yl)methyl methanesulfonate

Systemtic Name: methanesulfonic acid; (3-methyl-4-nitro-pyridin-2-yl)methyl methanesulfonate Openeye Name: methanesulfonic acid; (3-methyl-4-nitro-2-pyridyl)methyl methanesulfonate CAS Name: methanesulfonic acid; methanesulfonic acid (3-methyl-4-nitro-2-pyridinyl)methyl ester IUPAC Name: methanesulfonic acid; (3-methyl-4-nitropyridin-2-yl)methyl methanesulfonate Traditional Name: mesylic acid; methanesulfonic acid (3-methyl-4-nitro-2-pyridyl)methyl ester Formula: C9H14N2O8S2 MolecularWeight: 342.34606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1COS(=O)(=O)C)[N+](=O)[O-].CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CN=C1COS(=O)(=O)C)[N+](=O)[O-].CS(=O)(=O)O

InChI

InChI=1S/C8H10N2O5S.CH4O3S/c1-6-7(5-15-16(2,13)14)9-4-3-8(6)10(11)12;1-5(2,3)4/h3-4H,5H2,1-2H3;1H3,(H,2,3,4)