2,3-disulfooxypropyl (Z)-octadec-9-enoate

Systemtic Name: 2,3-disulfooxypropyl (Z)-octadec-9-enoate Openeye Name: 2,3-disulfooxypropyl (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid 2,3-disulfooxypropyl ester IUPAC Name: 2,3-disulfooxypropyl (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid 2,3-disulfoxypropyl ester Formula: C21H40O10S2 MolecularWeight: 516.6663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C21H40O10S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(22)29-18-20(31-33(26,27)28)19-30-32(23,24)25/h9-10,20H,2-8,11-19H2,1H3,(H,23,24,25)(H,26,27,28)/b10-9-