S-[(4-tert-butyl-2,6-dimethyl-3-oxidanyl-phenyl)methyl] 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-[(4-tert-butyl-2,6-dimethyl-3-oxidanyl-phenyl)methyl] 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-[(4-tert-butyl-3-hydroxy-2,6-dimethyl-phenyl)methyl] 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl] ester IUPAC Name: S-[(4-tert-butyl-3-hydroxy-2,6-dimethylphenyl)methyl] 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-(4-tert-butyl-3-hydroxy-2,6-dimethyl-benzyl) ester Formula: C28H40O3S MolecularWeight: 456.6804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CSC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=C1CSC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)O)C(C)(C)C

InChI

InChI=1S/C28H40O3S/c1-16-12-20(26(3,4)5)23(29)17(2)19(16)15-32-25(31)18-13-21(27(6,7)8)24(30)22(14-18)28(9,10)11/h12-14,29-30H,15H2,1-11H3