[(1R)-1-[(4R,5R)-5-cyano-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxy-ethyl] methanesulfonate

Systemtic Name: [(1R)-1-[(4R,5R)-5-cyano-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxy-ethyl] methanesulfonate Openeye Name: [(1R)-2-benzyloxy-1-[(4R,5R)-5-cyano-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] methanesulfonate CAS Name: methanesulfonic acid [(1R)-1-[(4R,5R)-5-cyano-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethyl] ester IUPAC Name: [(1R)-1-[(4R,5R)-5-cyano-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethyl] methanesulfonate Traditional Name: methanesulfonic acid [(1R)-2-benzoxy-1-[(4R,5R)-5-cyano-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] ester Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)C(COCC2=CC=CC=C2)OS(=O)(=O)C)C#N)C

Isomeric SMILES

CC1(O[C@@H]([C@@H](O1)[C@@H](COCC2=CC=CC=C2)OS(=O)(=O)C)C#N)C

InChI

InChI=1S/C16H21NO6S/c1-16(2)21-13(9-17)15(22-16)14(23-24(3,18)19)11-20-10-12-7-5-4-6-8-12/h4-8,13-15H,10-11H2,1-3H3/t13-,14-,15-/m1/s1