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

Systemtic Name: sodium [(2S)-1-(4-fluorophenyl)propan-2-yl] sulfate Openeye Name: sodium [(1S)-2-(4-fluorophenyl)-1-methyl-ethyl] sulfate CAS Name: sodium [(2S)-1-(4-fluorophenyl)propan-2-yl] sulfate IUPAC Name: sodium [(2S)-1-(4-fluorophenyl)propan-2-yl] sulfate Traditional Name: sodium [(1S)-2-(4-fluorophenyl)-1-methyl-ethyl] sulfate Formula: C9H10FNaO4S MolecularWeight: 256.226473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11FO4S.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