S-(phenylmethyl) 3,5-ditert-butylbenzenecarbothioate

Systemtic Name: S-(phenylmethyl) 3,5-ditert-butylbenzenecarbothioate Openeye Name: S-benzyl 3,5-ditert-butylbenzenecarbothioate CAS Name: 3,5-ditert-butylbenzenecarbothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 3,5-ditert-butylbenzenecarbothioate Traditional Name: 3,5-ditert-butylthiobenzoic acid S-benzyl ester Formula: C22H28OS MolecularWeight: 340.52212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28OS/c1-21(2,3)18-12-17(13-19(14-18)22(4,5)6)20(23)24-15-16-10-8-7-9-11-16/h7-14H,15H2,1-6H3