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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CCC(=O)OC2(CCCC(S2)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)OC2(CCCC(S2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(C)(C)C)O

InChI

InChI=1S/C31H34Cl2O3S/c1-20-18-21(19-26(29(20)35)30(2,3)4)7-16-28(34)36-31(23-10-14-25(33)15-11-23)17-5-6-27(37-31)22-8-12-24(32)13-9-22/h8-15,18-19,27,35H,5-7,16-17H2,1-4H3