2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]sulfanyl-butanoate

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]sulfanyl-butanoate Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-4-[1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-2-oxido-2-oxo-ethyl]sulfanyl-butanoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxido-1-oxopropan-2-yl]thio]butanoate IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxido-1-oxopropan-2-yl]sulfanylbutanoate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)-4-[[1-(3,5-ditert-butyl-4-hydroxy-benzyl)-2-keto-2-oxido-ethyl]thio]butyrate Formula: C36H52O6S-2 MolecularWeight: 612.85948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(CCSC(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(CCSC(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C36H54O6S/c1-33(2,3)24-16-21(17-25(29(24)37)34(4,5)6)15-23(31(39)40)13-14-43-28(32(41)42)20-22-18-26(35(7,8)9)30(38)27(19-22)36(10,11)12/h16-19,23,28,37-38H,13-15,20H2,1-12H3,(H,39,40)(H,41,42)/p-2