2-[4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropyl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylpropyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[3-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]propyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[3-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]propyl]phenoxy]-2-methyl-propionic acid Formula: C27H38O4S MolecularWeight: 458.65322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCC2=CC=C(C=C2)OC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCC2=CC=C(C=C2)OC(C)(C)C(=O)O

InChI

InChI=1S/C27H38O4S/c1-25(2,3)21-16-20(17-22(23(21)28)26(4,5)6)32-15-9-10-18-11-13-19(14-12-18)31-27(7,8)24(29)30/h11-14,16-17,28H,9-10,15H2,1-8H3,(H,29,30)