(1-cyanocyclopropyl)methyl 4-methylbenzenesulfonate

Systemtic Name: (1-cyanocyclopropyl)methyl 4-methylbenzenesulfonate Openeye Name: (1-cyanocyclopropyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-cyanocyclopropyl)methyl ester IUPAC Name: (1-cyanocyclopropyl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-cyanocyclopropyl)methyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CC2)C#N

InChI

InChI=1S/C12H13NO3S/c1-10-2-4-11(5-3-10)17(14,15)16-9-12(8-13)6-7-12/h2-5H,6-7,9H2,1H3