3-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-[2,6-ditert-butyl-4-[1-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-methyl-ethyl]sulfanyl-phenoxy]-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-[2,6-ditert-butyl-4-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]propan-2-ylthio]phenoxy]-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-[2,6-ditert-butyl-4-[[1-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-methyl-ethyl]thio]phenoxy]-2-hydroxy-propane-1-sulfonic acid Formula: C34H54O6S3 MolecularWeight: 654.98396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OCC(CS(=O)(=O)O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OCC(CS(=O)(=O)O)O)C(C)(C)C

InChI

InChI=1S/C34H54O6S3/c1-30(2,3)24-15-22(16-25(28(24)36)31(4,5)6)41-34(13,14)42-23-17-26(32(7,8)9)29(27(18-23)33(10,11)12)40-19-21(35)20-43(37,38)39/h15-18,21,35-36H,19-20H2,1-14H3,(H,37,38,39)