3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanyl]propanoic acid CAS Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylthio]propanoic acid IUPAC Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 3-[(3,5-ditert-butyl-4-hydroxy-benzyl)thio]propionic acid Formula: C18H28O3S MolecularWeight: 324.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSCCC(=O)O

InChI

InChI=1S/C18H28O3S/c1-17(2,3)13-9-12(11-22-8-7-15(19)20)10-14(16(13)21)18(4,5)6/h9-10,21H,7-8,11H2,1-6H3,(H,19,20)