[2,6-bis(4-chlorophenyl)thian-4-yl] benzoate

Systemtic Name: [2,6-bis(4-chlorophenyl)thian-4-yl] benzoate Openeye Name: [2,6-bis(4-chlorophenyl)tetrahydrothiopyran-4-yl] benzoate CAS Name: benzoic acid [2,6-bis(4-chlorophenyl)-4-thianyl] ester IUPAC Name: [2,6-bis(4-chlorophenyl)thian-4-yl] benzoate Traditional Name: benzoic acid [2,6-bis(4-chlorophenyl)tetrahydrothiopyran-4-yl] ester Formula: C24H20Cl2O2S MolecularWeight: 443.3854

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(SC1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(CC(SC1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H20Cl2O2S/c25-19-10-6-16(7-11-19)22-14-21(28-24(27)18-4-2-1-3-5-18)15-23(29-22)17-8-12-20(26)13-9-17/h1-13,21-23H,14-15H2