6-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(sulfanylmethyl)hexanoate

Systemtic Name: 6-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-(sulfanylmethyl)hexanoate Openeye Name: 6-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(sulfanylmethyl)hexanoate CAS Name: 6-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(mercaptomethyl)hexanoate IUPAC Name: 6-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(sulfanylmethyl)hexanoate Traditional Name: 6-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-(mercaptomethyl)hexanoate Formula: C21H33O3S- MolecularWeight: 365.54992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCCC(CS)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCCC(CS)C(=O)[O-]

InChI

InChI=1S/C21H34O3S/c1-20(2,3)16-11-14(12-17(18(16)22)21(4,5)6)9-7-8-10-15(13-25)19(23)24/h11-12,15,22,25H,7-10,13H2,1-6H3,(H,23,24)/p-1