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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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