sodium [(2S)-1-(4-chlorophenyl)propan-2-yl] sulfate

Systemtic Name: sodium [(2S)-1-(4-chlorophenyl)propan-2-yl] sulfate Openeye Name: sodium [(1S)-2-(4-chlorophenyl)-1-methyl-ethyl] sulfate CAS Name: sodium [(2S)-1-(4-chlorophenyl)propan-2-yl] sulfate IUPAC Name: sodium [(2S)-1-(4-chlorophenyl)propan-2-yl] sulfate Traditional Name: sodium [(1S)-2-(4-chlorophenyl)-1-methyl-ethyl] sulfate Formula: C9H10ClNaO4S MolecularWeight: 272.68107

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11ClO4S.Na/c1-7(14-15(11,12)13)6-8-2-4-9(10)5-3-8;/h2-5,7H,6H2,1H3,(H,11,12,13);/q;+1/p-1/t7-;/m0./s1