sodium 2-[(Z)-3-methyl-9-tricosanoyloxy-dec-2-enoyl]oxyethanesulfonate

Systemtic Name: sodium 2-[(Z)-3-methyl-9-tricosanoyloxy-dec-2-enoyl]oxyethanesulfonate Openeye Name: sodium 2-[(Z)-3-methyl-9-tricosanoyloxy-dec-2-enoyl]oxyethanesulfonate CAS Name: sodium 2-[(Z)-3-methyl-1-oxo-9-(1-oxotricosoxy)dec-2-enoxy]ethanesulfonate IUPAC Name: sodium 2-[(Z)-3-methyl-9-tricosanoyloxydec-2-enoyl]oxyethanesulfonate Traditional Name: sodium 2-[(Z)-3-methyl-9-tricosanoyloxy-dec-2-enoyl]oxyethanesulfonate Formula: C36H67NaO7S MolecularWeight: 666.96775

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCCC(=CC(=O)OCCS(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCC/C(=C\C(=O)OCCS(=O)(=O)[O-])/C.[Na+]

InChI

InChI=1S/C36H68O7S.Na/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);/q;+1/p-1/b33-32-;