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

Systemtic Name: 2-[4-chloranyl-3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-chloro-3-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylethyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-chloro-3-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]ethyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-chloro-3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylethyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-chloro-3-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]ethyl]phenoxy]-2-methyl-propionic acid Formula: C26H35ClO4S MolecularWeight: 479.0717

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC2=C(C=CC(=C2)OC(C)(C)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC2=C(C=CC(=C2)OC(C)(C)C(=O)O)Cl

InChI

InChI=1S/C26H35ClO4S/c1-24(2,3)19-14-18(15-20(22(19)28)25(4,5)6)32-12-11-16-13-17(9-10-21(16)27)31-26(7,8)23(29)30/h9-10,13-15,28H,11-12H2,1-8H3,(H,29,30)