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

Systemtic Name: sodium [(1E,3E)-icosa-1,3-dienyl] sulfate Openeye Name: sodium [(1E,3E)-icosa-1,3-dienyl] sulfate CAS Name: sodium [(1E,3E)-eicosa-1,3-dienyl] sulfate IUPAC Name: sodium [(1E,3E)-icosa-1,3-dienyl] sulfate Traditional Name: sodium [(1E,3E)-eicosa-1,3-dienyl] sulfate Formula: C20H37NaO4S MolecularWeight: 396.56015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H38O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;/h17-20H,2-16H2,1H3,(H,21,22,23);/q;+1/p-1/b18-17+,20-19+;