[(2S)-1-phenylpropan-2-yl] hydrogen sulfate

Systemtic Name: [(2S)-1-phenylpropan-2-yl] hydrogen sulfate Openeye Name: [(1S)-1-methyl-2-phenyl-ethyl] hydrogen sulfate CAS Name: sulfuric acid [(2S)-1-phenylpropan-2-yl] ester IUPAC Name: [(2S)-1-phenylpropan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [(1S)-1-methyl-2-phenyl-ethyl] ester Formula: C9H12O4S MolecularWeight: 216.25418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)OS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C9H12O4S/c1-8(13-14(10,11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,10,11,12)/t8-/m0/s1