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

Systemtic Name: 3-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethylsulfanyl]propanoic acid Openeye Name: 3-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethylsulfanyl]propanoic acid CAS Name: 3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethylthio]propanoic acid IUPAC Name: 3-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethylsulfanyl]propanoic acid Traditional Name: 3-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethylthio]propionic acid Formula: C19H30O3S MolecularWeight: 338.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O3S/c1-18(2,3)14-11-13(7-9-23-10-8-16(20)21)12-15(17(14)22)19(4,5)6/h11-12,22H,7-10H2,1-6H3,(H,20,21)