[(1R,2R)-2-cyanocyclopropyl]methyl 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [(1R,2R)-2-cyanocyclopropyl]methyl 2,4,6-trimethylbenzenesulfonate Openeye Name: [(1R,2R)-2-cyanocyclopropyl]methyl 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [(1R,2R)-2-cyanocyclopropyl]methyl ester IUPAC Name: [(1R,2R)-2-cyanocyclopropyl]methyl 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [(1R,2R)-2-cyanocyclopropyl]methyl ester Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCC2CC2C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OC[C@@H]2C[C@H]2C#N)C

InChI

InChI=1S/C14H17NO3S/c1-9-4-10(2)14(11(3)5-9)19(16,17)18-8-13-6-12(13)7-15/h4-5,12-13H,6,8H2,1-3H3/t12-,13-/m0/s1