(4-acetamidophenyl) 2,5-bis(chloranyl)-3,6-dimethyl-benzenesulfonate

Systemtic Name: (4-acetamidophenyl) 2,5-bis(chloranyl)-3,6-dimethyl-benzenesulfonate Openeye Name: (4-acetamidophenyl) 2,5-dichloro-3,6-dimethyl-benzenesulfonate CAS Name: 2,5-dichloro-3,6-dimethylbenzenesulfonic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2,5-dichloro-3,6-dimethylbenzenesulfonate Traditional Name: 2,5-dichloro-3,6-dimethyl-benzenesulfonic acid (4-acetamidophenyl) ester Formula: C16H15Cl2NO4S MolecularWeight: 388.2656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C)C)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C)C)Cl

InChI

InChI=1S/C16H15Cl2NO4S/c1-9-8-14(17)10(2)16(15(9)18)24(21,22)23-13-6-4-12(5-7-13)19-11(3)20/h4-8H,1-3H3,(H,19,20)