2-[18,20-bis(2-sulfanylethoxy)-19-(sulfanylmethyl)heptatriacontan-19-yl]hexanedioic acid

Systemtic Name: 2-[18,20-bis(2-sulfanylethoxy)-19-(sulfanylmethyl)heptatriacontan-19-yl]hexanedioic acid Openeye Name: 2-[2-(2-sulfanylethoxy)-1-[1-(2-sulfanylethoxy)octadecyl]-1-(sulfanylmethyl)nonadecyl]hexanedioic acid CAS Name: 2-[18,20-bis(2-mercaptoethoxy)-19-(mercaptomethyl)heptatriacontan-19-yl]hexanedioic acid IUPAC Name: 2-[18,20-bis(2-sulfanylethoxy)-19-(sulfanylmethyl)heptatriacontan-19-yl]hexanedioic acid Traditional Name: 2-[2-(2-mercaptoethoxy)-1-[1-(2-mercaptoethoxy)octadecyl]-1-(mercaptomethyl)nonadecyl]adipic acid Formula: C48H94O6S3 MolecularWeight: 863.45136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C(CS)(C(CCCC(=O)O)C(=O)O)C(CCCCCCCCCCCCCCCCC)OCCS)OCCS

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C(CS)(C(CCCC(=O)O)C(=O)O)C(CCCCCCCCCCCCCCCCC)OCCS)OCCS

InChI

InChI=1S/C48H94O6S3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-44(53-38-40-55)48(42-57,43(47(51)52)34-33-37-46(49)50)45(54-39-41-56)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-45,55-57H,3-42H2,1-2H3,(H,49,50)(H,51,52)