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

Systemtic Name: 2-[4-[5-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpentyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[5-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylpentyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[5-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]pentyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[5-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpentyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[5-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]pentyl]phenoxy]-2-methyl-propionic 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)SCCCCCC2=CC=C(C=C2)OC(C)(C)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCCCCC2=CC=C(C=C2)OC(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)34-17-11-9-10-12-20-13-15-21(16-14-20)33-29(7,8)26(31)32/h13-16,18-19,30H,9-12,17H2,1-8H3,(H,31,32)