bis[2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylmethylsulfanyl]phenyl] hydrogen phosphate

Systemtic Name: bis[2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylmethylsulfanyl]phenyl] hydrogen phosphate Openeye Name: bis[2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylmethylsulfanyl]phenyl] hydrogen phosphate CAS Name: bis[2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-hydroxyphenyl)thio]methylthio]phenyl] hydrogen phosphate IUPAC Name: bis[2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylmethylsulfanyl]phenyl] hydrogen phosphate Traditional Name: bis[2,6-ditert-butyl-4-[[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]methylthio]phenyl] hydrogen phosphate Formula: C58H87O6PS4 MolecularWeight: 1039.541541

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCSC2=CC(=C(C(=C2)C(C)(C)C)OP(=O)(O)OC3=C(C=C(C=C3C(C)(C)C)SCSC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCSC2=CC(=C(C(=C2)C(C)(C)C)OP(=O)(O)OC3=C(C=C(C=C3C(C)(C)C)SCSC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C58H87O6PS4/c1-51(2,3)39-25-35(26-40(47(39)59)52(4,5)6)66-33-68-37-29-43(55(13,14)15)49(44(30-37)56(16,17)18)63-65(61,62)64-50-45(57(19,20)21)31-38(32-46(50)58(22,23)24)69-34-67-36-27-41(53(7,8)9)48(60)42(28-36)54(10,11)12/h25-32,59-60H,33-34H2,1-24H3,(H,61,62)