2,5-bis(chloranyl)-3-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid

Systemtic Name: 2,5-bis(chloranyl)-3-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Openeye Name: 2,5-dichloro-3-(thiazol-4-ylmethylsulfonyl)benzoic acid CAS Name: 2,5-dichloro-3-(4-thiazolylmethylsulfonyl)benzoic acid IUPAC Name: 2,5-dichloro-3-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Traditional Name: 2,5-dichloro-3-(thiazol-4-ylmethylsulfonyl)benzoic acid Formula: C11H7Cl2NO4S2 MolecularWeight: 352.21358

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1S(=O)(=O)CC2=CSC=N2)Cl)C(=O)O)Cl

Isomeric SMILES

C1=C(C=C(C(=C1S(=O)(=O)CC2=CSC=N2)Cl)C(=O)O)Cl

InChI

InChI=1S/C11H7Cl2NO4S2/c12-6-1-8(11(15)16)10(13)9(2-6)20(17,18)4-7-3-19-5-14-7/h1-3,5H,4H2,(H,15,16)