sodium [(2S)-2,6-dimethylheptyl] sulfate

Systemtic Name: sodium [(2S)-2,6-dimethylheptyl] sulfate Openeye Name: sodium [(2S)-2,6-dimethylheptyl] sulfate CAS Name: sodium [(2S)-2,6-dimethylheptyl] sulfate IUPAC Name: sodium [(2S)-2,6-dimethylheptyl] sulfate Traditional Name: sodium [(2S)-2,6-dimethylheptyl] sulfate Formula: C9H19NaO4S MolecularWeight: 246.29953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)COS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C[C@@H](CCCC(C)C)COS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H20O4S.Na/c1-8(2)5-4-6-9(3)7-13-14(10,11)12;/h8-9H,4-7H2,1-3H3,(H,10,11,12);/q;+1/p-1/t9-;/m0./s1