2-[2-tert-butyl-4-[5-tert-butyl-4-(3-dodecylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-methyl-phenyl]sulfanyl-5-methyl-phenyl]-3-dodecylsulfanyl-propanoic acid

Systemtic Name: 2-[2-tert-butyl-4-[5-tert-butyl-4-(3-dodecylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-2-methyl-phenyl]sulfanyl-5-methyl-phenyl]-3-dodecylsulfanyl-propanoic acid Openeye Name: 2-[2-tert-butyl-4-[5-tert-butyl-4-[1-(dodecylsulfanylmethyl)-2-hydroxy-2-oxo-ethyl]-2-methyl-phenyl]sulfanyl-5-methyl-phenyl]-3-dodecylsulfanyl-propanoic acid CAS Name: 2-[2-tert-butyl-4-[[5-tert-butyl-4-[3-(dodecylthio)-1-hydroxy-1-oxopropan-2-yl]-2-methylphenyl]thio]-5-methylphenyl]-3-(dodecylthio)propanoic acid IUPAC Name: 2-[2-tert-butyl-4-[5-tert-butyl-4-(3-dodecylsulfanyl-1-hydroxy-1-oxopropan-2-yl)-2-methylphenyl]sulfanyl-5-methylphenyl]-3-dodecylsulfanylpropanoic acid Traditional Name: 2-[2-tert-butyl-4-[[5-tert-butyl-4-[2-hydroxy-2-keto-1-[(laurylthio)methyl]ethyl]-2-methyl-phenyl]thio]-5-methyl-phenyl]-3-(laurylthio)propionic acid Formula: C52H86O4S3 MolecularWeight: 871.43184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(C1=CC(=C(C=C1C(C)(C)C)SC2=C(C=C(C(=C2)C(C)(C)C)C(CSCCCCCCCCCCCC)C(=O)O)C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCSCC(C1=CC(=C(C=C1C(C)(C)C)SC2=C(C=C(C(=C2)C(C)(C)C)C(CSCCCCCCCCCCCC)C(=O)O)C)C)C(=O)O

InChI

InChI=1S/C52H86O4S3/c1-11-13-15-17-19-21-23-25-27-29-31-57-37-43(49(53)54)41-33-39(3)47(35-45(41)51(5,6)7)59-48-36-46(52(8,9)10)42(34-40(48)4)44(50(55)56)38-58-32-30-28-26-24-22-20-18-16-14-12-2/h33-36,43-44H,11-32,37-38H2,1-10H3,(H,53,54)(H,55,56)