sodium [(E)-octadec-9-enoyl] octadecanoate disulfate

Systemtic Name: sodium [(E)-octadec-9-enoyl] octadecanoate disulfate Openeye Name: sodium [(E)-octadec-9-enoyl] octadecanoate disulfate CAS Name: sodium octadecanoic acid [(E)-1-oxooctadec-9-enyl] ester disulfate IUPAC Name: sodium [(E)-octadec-9-enoyl] octadecanoate disulfate Traditional Name: sodium stearic acid [(E)-octadec-9-enoyl] ester disulfate Formula: C36H68NaO11S2-3 MolecularWeight: 764.03829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H68O3.Na.2H2O4S/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;;2*1-5(2,3)4/h17,19H,3-16,18,20-34H2,1-2H3;;2*(H2,1,2,3,4)/q;+1;;/p-4/b19-17+;;;