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

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-2-methyl-heptanoic acid Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-2-methyl-heptanoic acid CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-2-methylheptanoic acid IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-2-methylheptanoic acid Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-2-methyl-enanthic acid Formula: C22H36O3S MolecularWeight: 380.58444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36O3S/c1-9-10-11-12-22(8,19(24)25)26-15-13-16(20(2,3)4)18(23)17(14-15)21(5,6)7/h13-14,23H,9-12H2,1-8H3,(H,24,25)