sodium butyl (E)-octadec-9-enoate sulfate

Systemtic Name: sodium butyl (E)-octadec-9-enoate sulfate Openeye Name: sodium butyl (E)-octadec-9-enoate sulfate CAS Name: sodium (E)-9-octadecenoic acid butyl ester sulfate IUPAC Name: sodium butyl (E)-octadec-9-enoate sulfate Traditional Name: sodium (E)-octadec-9-enoic acid butyl ester sulfate Formula: C22H42NaO6S- MolecularWeight: 457.62005

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCCC.[O-]S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCCC.[O-]S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C22H42O2.Na.H2O4S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2;;1-5(2,3)4/h12-13H,3-11,14-21H2,1-2H3;;(H2,1,2,3,4)/q;+1;/p-2/b13-12+;;