sodium [(E)-octadec-9-enoyl] (E)-octadec-9-enoate sulfate

Systemtic Name: sodium [(E)-octadec-9-enoyl] (E)-octadec-9-enoate sulfate Openeye Name: sodium [(E)-octadec-9-enoyl] (E)-octadec-9-enoate sulfate CAS Name: sodium (E)-9-octadecenoic acid [(E)-1-oxooctadec-9-enyl] ester sulfate IUPAC Name: sodium [(E)-octadec-9-enoyl] (E)-octadec-9-enoate sulfate Traditional Name: sodium (E)-octadec-9-enoic acid [(E)-octadec-9-enoyl] ester sulfate Formula: C36H66NaO7S- MolecularWeight: 665.95981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H66O3.Na.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;1-5(2,3)4/h17-20H,3-16,21-34H2,1-2H3;;(H2,1,2,3,4)/q;+1;/p-2/b19-17+,20-18+;;