2,6-bis(dodecylsulfanylmethyl)-3,3-bis(3-dodecylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-4,4-dimethyl-heptanedioic acid

Systemtic Name: 2,6-bis(dodecylsulfanylmethyl)-3,3-bis(3-dodecylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-4,4-dimethyl-heptanedioic acid Openeye Name: 2,6-bis(dodecylsulfanylmethyl)-3,3-bis[1-(dodecylsulfanylmethyl)-2-hydroxy-2-oxo-ethyl]-4,4-dimethyl-heptanedioic acid CAS Name: 3,3-bis[3-(dodecylthio)-1-hydroxy-1-oxopropan-2-yl]-2,6-bis[(dodecylthio)methyl]-4,4-dimethylheptanedioic acid IUPAC Name: 3,3-bis(3-dodecylsulfanyl-1-hydroxy-1-oxopropan-2-yl)-2,6-bis(dodecylsulfanylmethyl)-4,4-dimethylheptanedioic acid Traditional Name: 3,3-bis[2-hydroxy-2-keto-1-[(laurylthio)methyl]ethyl]-2,6-bis[(laurylthio)methyl]-4,4-dimethyl-pimelic acid Formula: C65H124O8S4 MolecularWeight: 1161.93526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(CC(C)(C)C(C(CSCCCCCCCCCCCC)C(=O)O)(C(CSCCCCCCCCCCCC)C(=O)O)C(CSCCCCCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCSCC(CC(C)(C)C(C(CSCCCCCCCCCCCC)C(=O)O)(C(CSCCCCCCCCCCCC)C(=O)O)C(CSCCCCCCCCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C65H124O8S4/c1-7-11-15-19-23-27-31-35-39-43-47-74-52-56(60(66)67)51-64(5,6)65(57(61(68)69)53-75-48-44-40-36-32-28-24-20-16-12-8-2,58(62(70)71)54-76-49-45-41-37-33-29-25-21-17-13-9-3)59(63(72)73)55-77-50-46-42-38-34-30-26-22-18-14-10-4/h56-59H,7-55H2,1-6H3,(H,66,67)(H,68,69)(H,70,71)(H,72,73)