2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanethioic S-acid

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethanethioic S-acid Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanethioic S-acid CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)ethanethioic S-acid IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)ethanethioic S-acid Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)thioacetic acid Formula: C16H24O2S MolecularWeight: 280.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O2S/c1-15(2,3)11-7-10(9-13(17)19)8-12(14(11)18)16(4,5)6/h7-8,18H,9H2,1-6H3,(H,17,19)