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

Systemtic Name: 3-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]propanoic acid Openeye Name: 3-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylsulfanyl]propanoic acid CAS Name: 3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylthio]propanoic acid IUPAC Name: 3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]propanoic acid Traditional Name: 3-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylthio]propionic acid Formula: C20H32O3S MolecularWeight: 352.53128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32O3S/c1-19(2,3)15-12-14(8-7-10-24-11-9-17(21)22)13-16(18(15)23)20(4,5)6/h12-13,23H,7-11H2,1-6H3,(H,21,22)