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

Systemtic Name: sodium [(1E,3E)-henicosa-1,3-dienyl] sulfate Openeye Name: sodium [(1E,3E)-henicosa-1,3-dienyl] sulfate CAS Name: sodium [(1E,3E)-heneicosa-1,3-dienyl] sulfate IUPAC Name: sodium [(1E,3E)-henicosa-1,3-dienyl] sulfate Traditional Name: sodium [(1E,3E)-heneicosa-1,3-dienyl] sulfate Formula: C21H39NaO4S MolecularWeight: 410.58673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-26(22,23)24;/h18-21H,2-17H2,1H3,(H,22,23,24);/q;+1/p-1/b19-18+,21-20+;