[2,4,5-tris(chloranyl)phenyl] 4-octylsulfanylbenzoate

Systemtic Name: [2,4,5-tris(chloranyl)phenyl] 4-octylsulfanylbenzoate Openeye Name: (2,4,5-trichlorophenyl) 4-octylsulfanylbenzoate CAS Name: 4-(octylthio)benzoic acid (2,4,5-trichlorophenyl) ester IUPAC Name: (2,4,5-trichlorophenyl) 4-octylsulfanylbenzoate Traditional Name: 4-(octylthio)benzoic acid (2,4,5-trichlorophenyl) ester Formula: C21H23Cl3O2S MolecularWeight: 445.83012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CCCCCCCCSC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C21H23Cl3O2S/c1-2-3-4-5-6-7-12-27-16-10-8-15(9-11-16)21(25)26-20-14-18(23)17(22)13-19(20)24/h8-11,13-14H,2-7,12H2,1H3