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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H40Cl2O3S/c1-32(2,3)27-20-22(21-28(31(27)38)33(4,5)6)9-18-30(37)39-34(24-12-16-26(36)17-13-24)19-7-8-29(40-34)23-10-14-25(35)15-11-23/h10-17,20-21,29,38H,7-9,18-19H2,1-6H3