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

Systemtic Name: sodium [(2S)-heptan-2-yl] sulfate Openeye Name: sodium [(1S)-1-methylhexyl] sulfate CAS Name: sodium [(2S)-heptan-2-yl] sulfate IUPAC Name: sodium [(2S)-heptan-2-yl] sulfate Traditional Name: sodium [(1S)-1-methylhexyl] sulfate Formula: C7H15NaO4S MolecularWeight: 218.24637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H16O4S.Na/c1-3-4-5-6-7(2)11-12(8,9)10;/h7H,3-6H2,1-2H3,(H,8,9,10);/q;+1/p-1/t7-;/m0./s1