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

Systemtic Name: S-(methylsulfanylmethyl) 3,5-ditert-butyl-4-oxidanyl-benzenecarbothioate Openeye Name: S-(methylsulfanylmethyl) 3,5-ditert-butyl-4-hydroxy-benzenecarbothioate CAS Name: 3,5-ditert-butyl-4-hydroxybenzenecarbothioic acid S-[(methylthio)methyl] ester IUPAC Name: S-(methylsulfanylmethyl) 3,5-ditert-butyl-4-hydroxybenzenecarbothioate Traditional Name: 3,5-ditert-butyl-4-hydroxy-thiobenzoic acid S-[(methylthio)methyl] ester Formula: C17H26O2S2 MolecularWeight: 326.51714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCSC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)SCSC

InChI

InChI=1S/C17H26O2S2/c1-16(2,3)12-8-11(15(19)21-10-20-7)9-13(14(12)18)17(4,5)6/h8-9,18H,10H2,1-7H3