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

Systemtic Name: S-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl] benzenecarbothioate Openeye Name: S-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl] ester IUPAC Name: S-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-(3,5-ditert-butyl-4-hydroxy-benzyl) ester Formula: C22H28O2S MolecularWeight: 356.52152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H28O2S/c1-21(2,3)17-12-15(13-18(19(17)23)22(4,5)6)14-25-20(24)16-10-8-7-9-11-16/h7-13,23H,14H2,1-6H3