(2-methoxy-3-sulfooxy-propyl) (E)-octadec-9-enoate

Systemtic Name: (2-methoxy-3-sulfooxy-propyl) (E)-octadec-9-enoate Openeye Name: (2-methoxy-3-sulfooxy-propyl) (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (2-methoxy-3-sulfooxypropyl) ester IUPAC Name: (2-methoxy-3-sulfooxypropyl) (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid (2-methoxy-3-sulfoxy-propyl) ester Formula: C22H42O7S MolecularWeight: 450.62968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COS(=O)(=O)O)OC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COS(=O)(=O)O)OC

InChI

InChI=1S/C22H42O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(23)28-19-21(27-2)20-29-30(24,25)26/h10-11,21H,3-9,12-20H2,1-2H3,(H,24,25,26)/b11-10+