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

Systemtic Name: 3-(3,5-ditert-butyl-2-oxidanyl-phenyl)sulfanylpropanoic acid Openeye Name: 3-(3,5-ditert-butyl-2-hydroxy-phenyl)sulfanylpropanoic acid CAS Name: 3-[(3,5-ditert-butyl-2-hydroxyphenyl)thio]propanoic acid IUPAC Name: 3-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylpropanoic acid Traditional Name: 3-[(3,5-ditert-butyl-2-hydroxy-phenyl)thio]propionic acid Formula: C17H26O3S MolecularWeight: 310.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)SCCC(=O)O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)SCCC(=O)O)O)C(C)(C)C

InChI

InChI=1S/C17H26O3S/c1-16(2,3)11-9-12(17(4,5)6)15(20)13(10-11)21-8-7-14(18)19/h9-10,20H,7-8H2,1-6H3,(H,18,19)