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

Systemtic Name: 2-[4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethyl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylethyl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]ethyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylethyl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]ethyl]phenoxy]-2-methyl-propionic acid Formula: C26H36O4S MolecularWeight: 444.62664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36O4S/c1-24(2,3)20-15-19(16-21(22(20)27)25(4,5)6)31-14-13-17-9-11-18(12-10-17)30-26(7,8)23(28)29/h9-12,15-16,27H,13-14H2,1-8H3,(H,28,29)