2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-sulfanyl-2-(2-sulfanylethyl)butanoic acid

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-4-sulfanyl-2-(2-sulfanylethyl)butanoic acid Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-4-sulfanyl-2-(2-sulfanylethyl)butanoic acid CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-mercapto-2-(2-mercaptoethyl)butanoic acid IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-sulfanyl-2-(2-sulfanylethyl)butanoic acid Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)-4-mercapto-2-(2-mercaptoethyl)butyric acid Formula: C21H34O3S2 MolecularWeight: 398.62286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O3S2/c1-19(2,3)15-11-14(12-16(17(15)22)20(4,5)6)13-21(7-9-25,8-10-26)18(23)24/h11-12,22,25-26H,7-10,13H2,1-6H3,(H,23,24)