2,4-bis(chloranyl)-5-(cyanomethylsulfonyl)benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-(cyanomethylsulfonyl)benzoic acid Openeye Name: 2,4-dichloro-5-(cyanomethylsulfonyl)benzoic acid CAS Name: 2,4-dichloro-5-(cyanomethylsulfonyl)benzoic acid IUPAC Name: 2,4-dichloro-5-(cyanomethylsulfonyl)benzoic acid Traditional Name: 2,4-dichloro-5-(cyanomethylsulfonyl)benzoic acid Formula: C9H5Cl2NO4S MolecularWeight: 294.1113

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1S(=O)(=O)CC#N)Cl)Cl)C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1S(=O)(=O)CC#N)Cl)Cl)C(=O)O

InChI

InChI=1S/C9H5Cl2NO4S/c10-6-4-7(11)8(3-5(6)9(13)14)17(15,16)2-1-12/h3-4H,2H2,(H,13,14)