[(1S)-2-(2,6-dimethylphenoxy)-1-phenyl-ethyl] methanesulfonate

Systemtic Name: [(1S)-2-(2,6-dimethylphenoxy)-1-phenyl-ethyl] methanesulfonate Openeye Name: [(1S)-2-(2,6-dimethylphenoxy)-1-phenyl-ethyl] methanesulfonate CAS Name: methanesulfonic acid [(1S)-2-(2,6-dimethylphenoxy)-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,6-dimethylphenoxy)-1-phenylethyl] methanesulfonate Traditional Name: methanesulfonic acid [(1S)-2-(2,6-dimethylphenoxy)-1-phenyl-ethyl] ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(C2=CC=CC=C2)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC[C@H](C2=CC=CC=C2)OS(=O)(=O)C

InChI

InChI=1S/C17H20O4S/c1-13-8-7-9-14(2)17(13)20-12-16(21-22(3,18)19)15-10-5-4-6-11-15/h4-11,16H,12H2,1-3H3/t16-/m1/s1