(3-methylsulfanyl-2-nitro-phenyl)methyl methanesulfonate

Systemtic Name: (3-methylsulfanyl-2-nitro-phenyl)methyl methanesulfonate Openeye Name: (3-methylsulfanyl-2-nitro-phenyl)methyl methanesulfonate CAS Name: methanesulfonic acid [3-(methylthio)-2-nitrophenyl]methyl ester IUPAC Name: (3-methylsulfanyl-2-nitrophenyl)methyl methanesulfonate Traditional Name: methanesulfonic acid [3-(methylthio)-2-nitro-benzyl] ester Formula: C9H11NO5S2 MolecularWeight: 277.31734

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1[N+](=O)[O-])COS(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC(=C1[N+](=O)[O-])COS(=O)(=O)C

InChI

InChI=1S/C9H11NO5S2/c1-16-8-5-3-4-7(9(8)10(11)12)6-15-17(2,13)14/h3-5H,6H2,1-2H3