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

Systemtic Name: 2-(3-methylsulfanyl-2-nitro-phenyl)ethyl methanesulfonate Openeye Name: 2-(3-methylsulfanyl-2-nitro-phenyl)ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[3-(methylthio)-2-nitrophenyl]ethyl ester IUPAC Name: 2-(3-methylsulfanyl-2-nitrophenyl)ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[3-(methylthio)-2-nitro-phenyl]ethyl ester Formula: C10H13NO5S2 MolecularWeight: 291.34392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO5S2/c1-17-9-5-3-4-8(10(9)11(12)13)6-7-16-18(2,14)15/h3-5H,6-7H2,1-2H3