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

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylheptanoic acid Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylheptanoic acid CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]heptanoic acid IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylheptanoic acid Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]enanthic acid Formula: C21H34O3S MolecularWeight: 366.55786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O3S/c1-8-9-10-11-17(19(23)24)25-14-12-15(20(2,3)4)18(22)16(13-14)21(5,6)7/h12-13,17,22H,8-11H2,1-7H3,(H,23,24)