sodium [(1E,3E)-docosa-1,3-dienyl] sulfate

Systemtic Name: sodium [(1E,3E)-docosa-1,3-dienyl] sulfate Openeye Name: sodium [(1E,3E)-docosa-1,3-dienyl] sulfate CAS Name: sodium [(1E,3E)-docosa-1,3-dienyl] sulfate IUPAC Name: sodium [(1E,3E)-docosa-1,3-dienyl] sulfate Traditional Name: sodium [(1E,3E)-docosa-1,3-dienyl] sulfate Formula: C22H41NaO4S MolecularWeight: 424.61331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;/h19-22H,2-18H2,1H3,(H,23,24,25);/q;+1/p-1/b20-19+,22-21+;