2,5-bis(chloranyl)-3-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid

Systemtic Name: 2,5-bis(chloranyl)-3-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 2,5-dichloro-3-[2-(cyanomethylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 2,5-dichloro-3-[2-(cyanomethylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 2,5-dichloro-3-[2-(cyanomethylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 2,5-dichloro-3-[2-(cyanomethylamino)-2-keto-ethyl]sulfonyl-benzoic acid Formula: C11H8Cl2N2O5S MolecularWeight: 351.16262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8Cl2N2O5S/c12-6-3-7(11(17)18)10(13)8(4-6)21(19,20)5-9(16)15-2-1-14/h3-4H,2,5H2,(H,15,16)(H,17,18)