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

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpentanoic acid Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylpentanoic acid CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]pentanoic acid IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpentanoic acid Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]valeric acid Formula: C19H30O3S MolecularWeight: 338.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O3S/c1-8-9-15(17(21)22)23-12-10-13(18(2,3)4)16(20)14(11-12)19(5,6)7/h10-11,15,20H,8-9H2,1-7H3,(H,21,22)