[4-(cyanomethyl)-3-methylsulfonyloxy-phenyl] methanesulfonate

Systemtic Name: [4-(cyanomethyl)-3-methylsulfonyloxy-phenyl] methanesulfonate Openeye Name: [4-(cyanomethyl)-3-methylsulfonyloxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(cyanomethyl)-3-methylsulfonyloxyphenyl] ester IUPAC Name: [4-(cyanomethyl)-3-methylsulfonyloxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(cyanomethyl)-3-methylsulfonyloxy-phenyl] ester Formula: C10H11NO6S2 MolecularWeight: 305.32744

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC(=C(C=C1)CC#N)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)OC1=CC(=C(C=C1)CC#N)OS(=O)(=O)C

InChI

InChI=1S/C10H11NO6S2/c1-18(12,13)16-9-4-3-8(5-6-11)10(7-9)17-19(2,14)15/h3-4,7H,5H2,1-2H3