2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-3,5-bis(oxidanyl)heptanoic acid

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-3,5-bis(oxidanyl)heptanoic acid Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-3,5-dihydroxy-heptanoic acid CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-3,5-dihydroxyheptanoic acid IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-3,5-dihydroxyheptanoic acid Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-3,5-dihydroxy-enanthic acid Formula: C21H34O5S MolecularWeight: 398.55666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O5S/c1-8-12(22)9-16(23)18(19(25)26)27-13-10-14(20(2,3)4)17(24)15(11-13)21(5,6)7/h10-12,16,18,22-24H,8-9H2,1-7H3,(H,25,26)