2,2-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-oxidanylidene-3-(13-sulfanylhexacosan-13-yloxy)propanoic acid

Systemtic Name: 2,2-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-oxidanylidene-3-(13-sulfanylhexacosan-13-yloxy)propanoic acid Openeye Name: 2,2-bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3-(1-dodecyl-1-sulfanyl-tetradecoxy)-3-oxo-propanoic acid CAS Name: 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-(13-mercaptohexacosan-13-yloxy)-3-oxopropanoic acid IUPAC Name: 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-oxo-3-(13-sulfanylhexacosan-13-yloxy)propanoic acid Traditional Name: 2,2-bis(3,5-ditert-butyl-4-hydroxy-benzyl)-3-keto-3-(1-lauryl-1-mercapto-tetradecoxy)propionic acid Formula: C59H100O6S MolecularWeight: 937.4867

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCCCCCCCCC)(OC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O)S

Isomeric SMILES

CCCCCCCCCCCCCC(CCCCCCCCCCCC)(OC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O)S

InChI

InChI=1S/C59H100O6S/c1-15-17-19-21-23-25-27-29-31-33-35-37-59(66,36-34-32-30-28-26-24-22-20-18-16-2)65-53(64)58(52(62)63,42-44-38-46(54(3,4)5)50(60)47(39-44)55(6,7)8)43-45-40-48(56(9,10)11)51(61)49(41-45)57(12,13)14/h38-41,60-61,66H,15-37,42-43H2,1-14H3,(H,62,63)