[2,4,5-tris(chloranyl)phenyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2,4,5-tris(chloranyl)phenyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (2,4,5-trichlorophenyl) 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (2,4,5-trichlorophenyl) ester IUPAC Name: (2,4,5-trichlorophenyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (2,4,5-trichlorophenyl) ester Formula: C22H19Cl3O3S MolecularWeight: 469.80846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC(=C(C=C4Cl)Cl)Cl

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC(=C(C=C4Cl)Cl)Cl

InChI

InChI=1S/C22H19Cl3O3S/c23-16-10-18(25)20(11-17(16)24)28-22(26)21-15(12-29-13-6-2-1-3-7-13)14-8-4-5-9-19(14)27-21/h4-5,8-11,13H,1-3,6-7,12H2