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

Systemtic Name: [2,6-bis(4-chlorophenyl)thian-4-yl] 3-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)propanoate Openeye Name: [2,6-bis(4-chlorophenyl)tetrahydrothiopyran-4-yl] 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propanoate CAS Name: 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoic acid [2,6-bis(4-chlorophenyl)-4-thianyl] ester IUPAC Name: [2,6-bis(4-chlorophenyl)thian-4-yl] 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate Traditional Name: 3-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)propionic acid [2,6-bis(4-chlorophenyl)tetrahydrothiopyran-4-yl] ester Formula: C31H34Cl2O3S MolecularWeight: 557.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CCC(=O)OC2CC(SC(C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(C)(C)C)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CCC(=O)OC2CC(SC(C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(C)(C)C)O

InChI

InChI=1S/C31H34Cl2O3S/c1-19-15-20(16-26(30(19)35)31(2,3)4)5-14-29(34)36-25-17-27(21-6-10-23(32)11-7-21)37-28(18-25)22-8-12-24(33)13-9-22/h6-13,15-16,25,27-28,35H,5,14,17-18H2,1-4H3