sodium [(2S)-octan-2-yl] sulfate

Systemtic Name: sodium [(2S)-octan-2-yl] sulfate Openeye Name: sodium [(1S)-1-methylheptyl] sulfate CAS Name: sodium [(2S)-octan-2-yl] sulfate IUPAC Name: sodium [(2S)-octan-2-yl] sulfate Traditional Name: sodium [(1S)-1-methylheptyl] sulfate Formula: C8H17NaO4S MolecularWeight: 232.27295

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCC[C@H](C)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H18O4S.Na/c1-3-4-5-6-7-8(2)12-13(9,10)11;/h8H,3-7H2,1-2H3,(H,9,10,11);/q;+1/p-1/t8-;/m0./s1