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

Systemtic Name: [2,6-bis(4-chlorophenyl)thian-4-yl] 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoate Openeye Name: [2,6-bis(4-chlorophenyl)tetrahydrothiopyran-4-yl] 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoate CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid [2,6-bis(4-chlorophenyl)-4-thianyl] ester IUPAC Name: [2,6-bis(4-chlorophenyl)thian-4-yl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid [2,6-bis(4-chlorophenyl)tetrahydrothiopyran-4-yl] ester Formula: C34H40Cl2O3S MolecularWeight: 599.6506

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

Isomeric SMILES

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

InChI

InChI=1S/C34H40Cl2O3S/c1-33(2,3)27-17-21(18-28(32(27)38)34(4,5)6)7-16-31(37)39-26-19-29(22-8-12-24(35)13-9-22)40-30(20-26)23-10-14-25(36)15-11-23/h8-15,17-18,26,29-30,38H,7,16,19-20H2,1-6H3