2-[(Z,9R)-9-[(Z)-docos-15-enoyl]oxy-3-methyl-dec-2-enoyl]oxyethanesulfonic acid

Systemtic Name: 2-[(Z,9R)-9-[(Z)-docos-15-enoyl]oxy-3-methyl-dec-2-enoyl]oxyethanesulfonic acid Openeye Name: 2-[(Z,9R)-9-[(Z)-docos-15-enoyl]oxy-3-methyl-dec-2-enoyl]oxyethanesulfonic acid CAS Name: 2-[(Z,9R)-3-methyl-1-oxo-9-[(Z)-1-oxodocos-15-enoxy]dec-2-enoxy]ethanesulfonic acid IUPAC Name: 2-[(Z,9R)-9-[(Z)-docos-15-enoyl]oxy-3-methyldec-2-enoyl]oxyethanesulfonic acid Traditional Name: 2-[(Z,9R)-9-[(Z)-docos-15-enoyl]oxy-3-methyl-dec-2-enoyl]oxyethanesulfonic acid Formula: C35H64O7S MolecularWeight: 628.94346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCCCCCCCC(=O)OC(C)CCCCCC(=CC(=O)OCCS(=O)(=O)O)C

Isomeric SMILES

CCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](C)CCCCC/C(=C\C(=O)OCCS(=O)(=O)O)/C

InChI

InChI=1S/C35H64O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-34(36)42-33(3)27-24-22-23-26-32(2)31-35(37)41-29-30-43(38,39)40/h9-10,31,33H,4-8,11-30H2,1-3H3,(H,38,39,40)/b10-9-,32-31-/t33-/m1/s1