(2,6-diphenylthian-4-yl) 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: (2,6-diphenylthian-4-yl) 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: (2,6-diphenyltetrahydrothiopyran-4-yl) 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid (2,6-diphenyl-4-thianyl) ester IUPAC Name: (2,6-diphenylthian-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid (2,6-diphenyltetrahydrothiopyran-4-yl) ester Formula: C32H38O3S MolecularWeight: 502.70732

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)OC2CC(SC(C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2CC(SC(C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H38O3S/c1-31(2,3)25-17-23(18-26(29(25)33)32(4,5)6)30(34)35-24-19-27(21-13-9-7-10-14-21)36-28(20-24)22-15-11-8-12-16-22/h7-18,24,27-28,33H,19-20H2,1-6H3