S-(phenylmethyl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-(phenylmethyl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-benzyl 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-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)C(=O)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCC2=CC=CC=C2

InChI

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