[1,1-bis(oxidanylidene)-2,6-diphenyl-thian-2-yl] 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate

Systemtic Name: [1,1-bis(oxidanylidene)-2,6-diphenyl-thian-2-yl] 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: (1,1-dioxo-2,6-diphenyl-thian-2-yl) 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid (1,1-dioxo-2,6-diphenyl-2-thianyl) ester IUPAC Name: (1,1-dioxo-2,6-diphenylthian-2-yl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid (1,1-diketo-2,6-diphenyl-thian-2-yl) ester Formula: C34H42O5S MolecularWeight: 562.75928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC2(CCCC(S2(=O)=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OC2(CCCC(S2(=O)=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C34H42O5S/c1-32(2,3)27-22-24(23-28(31(27)36)33(4,5)6)19-20-30(35)39-34(26-16-11-8-12-17-26)21-13-18-29(40(34,37)38)25-14-9-7-10-15-25/h7-12,14-17,22-23,29,36H,13,18-21H2,1-6H3