[2,3,4,5-tetrakis(chloranyl)-6-oxidanyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2,3,4,5-tetrakis(chloranyl)-6-oxidanyl-phenyl] 4-methylbenzenesulfonate Openeye Name: (2,3,4,5-tetrachloro-6-hydroxy-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,3,4,5-tetrachloro-6-hydroxyphenyl) ester IUPAC Name: (2,3,4,5-tetrachloro-6-hydroxyphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,3,4,5-tetrachloro-6-hydroxy-phenyl) ester Formula: C13H8Cl4O4S MolecularWeight: 402.07722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)O

InChI

InChI=1S/C13H8Cl4O4S/c1-6-2-4-7(5-3-6)22(19,20)21-13-11(17)9(15)8(14)10(16)12(13)18/h2-5,18H,1H3