S-(phenylmethyl) 3-tert-butyl-5-(2-methylbutan-2-yl)-4-oxidanyl-benzenecarbothioate

Systemtic Name: S-(phenylmethyl) 3-tert-butyl-5-(2-methylbutan-2-yl)-4-oxidanyl-benzenecarbothioate Openeye Name: S-benzyl 3-tert-butyl-5-(1,1-dimethylpropyl)-4-hydroxy-benzenecarbothioate CAS Name: 3-tert-butyl-4-hydroxy-5-(2-methylbutan-2-yl)benzenecarbothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 3-tert-butyl-4-hydroxy-5-(2-methylbutan-2-yl)benzenecarbothioate Traditional Name: 3-tert-amyl-5-tert-butyl-4-hydroxy-thiobenzoic acid S-benzyl ester Formula: C23H30O2S MolecularWeight: 370.5481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30O2S/c1-7-23(5,6)19-14-17(13-18(20(19)24)22(2,3)4)21(25)26-15-16-11-9-8-10-12-16/h8-14,24H,7,15H2,1-6H3