2-[(Z)-3-methyl-9-tricosanoyloxy-dec-2-enoyl]oxyethanesulfonic acid

Systemtic Name: 2-[(Z)-3-methyl-9-tricosanoyloxy-dec-2-enoyl]oxyethanesulfonic acid Openeye Name: 2-[(Z)-3-methyl-9-tricosanoyloxy-dec-2-enoyl]oxyethanesulfonic acid CAS Name: 2-[(Z)-3-methyl-1-oxo-9-(1-oxotricosoxy)dec-2-enoxy]ethanesulfonic acid IUPAC Name: 2-[(Z)-3-methyl-9-tricosanoyloxydec-2-enoyl]oxyethanesulfonic acid Traditional Name: 2-[(Z)-3-methyl-9-tricosanoyloxy-dec-2-enoyl]oxyethanesulfonic acid Formula: C36H68O7S MolecularWeight: 644.98592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCCC(=CC(=O)OCCS(=O)(=O)O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCC/C(=C\C(=O)OCCS(=O)(=O)O)/C

InChI

InChI=1S/C36H68O7S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-35(37)43-34(3)28-25-23-24-27-33(2)32-36(38)42-30-31-44(39,40)41/h32,34H,4-31H2,1-3H3,(H,39,40,41)/b33-32-