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

Systemtic Name: sodium [(2S)-1-phenylpropan-2-yl] sulfate Openeye Name: sodium [(1S)-1-methyl-2-phenyl-ethyl] sulfate CAS Name: sodium [(2S)-1-phenylpropan-2-yl] sulfate IUPAC Name: sodium [(2S)-1-phenylpropan-2-yl] sulfate Traditional Name: sodium [(1S)-1-methyl-2-phenyl-ethyl] sulfate Formula: C9H11NaO4S MolecularWeight: 238.23601

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C[C@@H](CC1=CC=CC=C1)OS(=O)(=O)[O-].[Na+]

InChI

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