Home > Products > Screening Compounds P86350 > 2-(4-Hydroxy-3,5-di-tert-butylphenylthio)-hexanoic acid

2-(4-Hydroxy-3,5-di-tert-butylphenylthio)-hexanoic acid

Catalog Number: EVT-1535912

CAS Number: 53602-61-2

Molecular Formula: C20H32O3S

Molecular Weight: 352.5 g/mol

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Product Introduction

Properties

CAS Number

53602-61-2

Product Name

2-(4-Hydroxy-3,5-di-tert-butylphenylthio)-hexanoic acid

IUPAC Name

2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid

Molecular Formula

C20H32O3S

Molecular Weight

352.5 g/mol

InChI

InChI=1S/C20H32O3S/c1-8-9-10-16(18(22)23)24-13-11-14(19(2,3)4)17(21)15(12-13)20(5,6)7/h11-12,16,21H,8-10H2,1-7H3,(H,22,23)

InChI Key

CQGSORMFKDTILR-UHFFFAOYSA-N

SMILES

CCCCC(C(=O)O)SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Synonyms

2-((3,5-di-t-butyl-4-hydroxyphenyl)thio)hexanoic acid
DH 990
DH 990, (+)-isomer
DH 990, (+-)-isomer
DH 990, (-)-isomer
DH 990, monosodium salt
DH-990
MDL 29350
MDL-29350

Canonical SMILES

CCCCC(C(=O)O)SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

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