2,2,3,3-tetrakis[[6-methyl-1-(2-sulfanylethanoyloxy)heptan-3-yl]sulfanyl]propanoic acid

Systemtic Name: 2,2,3,3-tetrakis[[6-methyl-1-(2-sulfanylethanoyloxy)heptan-3-yl]sulfanyl]propanoic acid Openeye Name: 2,2,3,3-tetrakis[[4-methyl-1-[2-(2-sulfanylacetyl)oxyethyl]pentyl]sulfanyl]propanoic acid CAS Name: 2,2,3,3-tetrakis[[1-(2-mercapto-1-oxoethoxy)-6-methylheptan-3-yl]thio]propanoic acid IUPAC Name: 2,2,3,3-tetrakis[[6-methyl-1-(2-sulfanylacetyl)oxyheptan-3-yl]sulfanyl]propanoic acid Traditional Name: 2,2,3,3-tetrakis[[1-[2-(2-mercaptoacetyl)oxyethyl]-4-methyl-pentyl]thio]propionic acid Formula: C43H78O10S8 MolecularWeight: 1011.59342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CCOC(=O)CS)SC(C(C(=O)O)(SC(CCC(C)C)CCOC(=O)CS)SC(CCC(C)C)CCOC(=O)CS)SC(CCC(C)C)CCOC(=O)CS

Isomeric SMILES

CC(C)CCC(CCOC(=O)CS)SC(C(C(=O)O)(SC(CCC(C)C)CCOC(=O)CS)SC(CCC(C)C)CCOC(=O)CS)SC(CCC(C)C)CCOC(=O)CS

InChI

InChI=1S/C43H78O10S8/c1-29(2)9-13-33(17-21-50-37(44)25-54)58-42(59-34(14-10-30(3)4)18-22-51-38(45)26-55)43(41(48)49,60-35(15-11-31(5)6)19-23-52-39(46)27-56)61-36(16-12-32(7)8)20-24-53-40(47)28-57/h29-36,42,54-57H,9-28H2,1-8H3,(H,48,49)