5-[3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethyl]phenoxy]-2,2-dimethyl-pentanoic acid

Systemtic Name: 5-[3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethyl]phenoxy]-2,2-dimethyl-pentanoic acid Openeye Name: 5-[3-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylethyl]phenoxy]-2,2-dimethyl-pentanoic acid CAS Name: 5-[3-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]ethyl]phenoxy]-2,2-dimethylpentanoic acid IUPAC Name: 5-[3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylethyl]phenoxy]-2,2-dimethylpentanoic acid Traditional Name: 5-[3-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]ethyl]phenoxy]-2,2-dimethyl-valeric acid Formula: C29H42O4S MolecularWeight: 486.70638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC2=CC(=CC=C2)OCCCC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC2=CC(=CC=C2)OCCCC(C)(C)C(=O)O

InChI

InChI=1S/C29H42O4S/c1-27(2,3)23-18-22(19-24(25(23)30)28(4,5)6)34-16-13-20-11-9-12-21(17-20)33-15-10-14-29(7,8)26(31)32/h9,11-12,17-19,30H,10,13-16H2,1-8H3,(H,31,32)