6-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-3,5-bis(oxidanyl)hexanoate

Systemtic Name: 6-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-3,5-bis(oxidanyl)hexanoate Openeye Name: 6-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-3,5-dihydroxy-hexanoate CAS Name: 6-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-3,5-dihydroxyhexanoate IUPAC Name: 6-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-3,5-dihydroxyhexanoate Traditional Name: 6-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-3,5-dihydroxy-hexanoate Formula: C20H31O5S- MolecularWeight: 383.52214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(CC(CC(=O)[O-])O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(CC(CC(=O)[O-])O)O

InChI

InChI=1S/C20H32O5S/c1-19(2,3)15-9-14(10-16(18(15)25)20(4,5)6)26-11-13(22)7-12(21)8-17(23)24/h9-10,12-13,21-22,25H,7-8,11H2,1-6H3,(H,23,24)/p-1