4-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid

Systemtic Name: 4-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Openeye Name: 4-(thiazol-4-ylmethylsulfonyl)benzoic acid CAS Name: 4-(4-thiazolylmethylsulfonyl)benzoic acid IUPAC Name: 4-(1,3-thiazol-4-ylmethylsulfonyl)benzoic acid Traditional Name: 4-(thiazol-4-ylmethylsulfonyl)benzoic acid Formula: C11H9NO4S2 MolecularWeight: 283.32346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)S(=O)(=O)CC2=CSC=N2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)S(=O)(=O)CC2=CSC=N2

InChI

InChI=1S/C11H9NO4S2/c13-11(14)8-1-3-10(4-2-8)18(15,16)6-9-5-17-7-12-9/h1-5,7H,6H2,(H,13,14)