3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-ethoxy-1-oxidanylidene-propan-2-yl]sulfanyl-propanoic acid

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-ethoxy-1-oxidanylidene-propan-2-yl]sulfanyl-propanoic acid Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-[1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-2-ethoxy-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethoxy-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-ethoxy-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[1-(3,5-ditert-butyl-4-hydroxy-benzyl)-2-ethoxy-2-keto-ethyl]thio]-3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid Formula: C36H54O6S MolecularWeight: 614.87536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)SC(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)SC(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C36H54O6S/c1-14-42-32(41)28(20-22-17-25(35(8,9)10)30(38)26(18-22)36(11,12)13)43-27(31(39)40)19-21-15-23(33(2,3)4)29(37)24(16-21)34(5,6)7/h15-18,27-28,37-38H,14,19-20H2,1-13H3,(H,39,40)