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

Systemtic Name: (2,6-diphenylthian-4-yl) 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: (2,6-diphenyltetrahydrothiopyran-4-yl) 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid (2,6-diphenyl-4-thianyl) ester IUPAC Name: (2,6-diphenylthian-4-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid (2,6-diphenyltetrahydrothiopyran-4-yl) ester Formula: C34H42O3S MolecularWeight: 530.76048

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H42O3S/c1-33(2,3)27-19-23(20-28(32(27)36)34(4,5)6)17-18-31(35)37-26-21-29(24-13-9-7-10-14-24)38-30(22-26)25-15-11-8-12-16-25/h7-16,19-20,26,29-30,36H,17-18,21-22H2,1-6H3