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

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylhexanoic acid Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylhexanoic acid CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]hexanoic acid IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexanoic acid Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]hexanoic acid Formula: C20H32O3S MolecularWeight: 352.53128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)