2,4-bis(chloranyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid Openeye Name: 2,4-dichloro-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic acid CAS Name: 2,4-dichloro-5-[(2-methyl-4-thiazolyl)methylsulfonyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]benzoic acid Traditional Name: 2,4-dichloro-5-[(2-methylthiazol-4-yl)methylsulfonyl]benzoic acid Formula: C12H9Cl2NO4S2 MolecularWeight: 366.24016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl

Isomeric SMILES

CC1=NC(=CS1)CS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl

InChI

InChI=1S/C12H9Cl2NO4S2/c1-6-15-7(4-20-6)5-21(18,19)11-2-8(12(16)17)9(13)3-10(11)14/h2-4H,5H2,1H3,(H,16,17)