(2-cyano-1-phenyl-pentan-2-yl) methanesulfonate

Systemtic Name: (2-cyano-1-phenyl-pentan-2-yl) methanesulfonate Openeye Name: (1-benzyl-1-cyano-butyl) methanesulfonate CAS Name: methanesulfonic acid (2-cyano-1-phenylpentan-2-yl) ester IUPAC Name: (2-cyano-1-phenylpentan-2-yl) methanesulfonate Traditional Name: methanesulfonic acid (1-benzyl-1-cyano-butyl) ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=CC=C1)(C#N)OS(=O)(=O)C

Isomeric SMILES

CCCC(CC1=CC=CC=C1)(C#N)OS(=O)(=O)C

InChI

InChI=1S/C13H17NO3S/c1-3-9-13(11-14,17-18(2,15)16)10-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3