(2-methyl-5-nitro-4-oxidanyl-phenyl) methanesulfonate

Systemtic Name: (2-methyl-5-nitro-4-oxidanyl-phenyl) methanesulfonate Openeye Name: (4-hydroxy-2-methyl-5-nitro-phenyl) methanesulfonate CAS Name: methanesulfonic acid (4-hydroxy-2-methyl-5-nitrophenyl) ester IUPAC Name: (4-hydroxy-2-methyl-5-nitrophenyl) methanesulfonate Traditional Name: methanesulfonic acid (4-hydroxy-2-methyl-5-nitro-phenyl) ester Formula: C8H9NO6S MolecularWeight: 247.22516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OS(=O)(=O)C)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1OS(=O)(=O)C)[N+](=O)[O-])O

InChI

InChI=1S/C8H9NO6S/c1-5-3-7(10)6(9(11)12)4-8(5)15-16(2,13)14/h3-4,10H,1-2H3