3-(5-chloranyl-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfo-propanoic acid hydroxide

Systemtic Name: 3-(5-chloranyl-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfo-propanoic acid hydroxide Openeye Name: 3-(5-chloro-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfo-propanoic acid hydroxide CAS Name: 3-(5-chloro-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfopropanoic acid hydroxide IUPAC Name: 3-(5-chloro-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfopropanoic acid hydroxide Traditional Name: 3-(5-chloro-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfo-propionic acid hydroxide Formula: C11H13ClNO6S2- MolecularWeight: 354.80702

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=CC(=C2)Cl)CC(C(=O)O)S(=O)(=O)O.[OH-]

Isomeric SMILES

CC1N(C2=C(S1)C=CC(=C2)Cl)CC(C(=O)O)S(=O)(=O)O.[OH-]

InChI

InChI=1S/C11H12ClNO5S2.H2O/c1-6-13(5-10(11(14)15)20(16,17)18)8-4-7(12)2-3-9(8)19-6;/h2-4,6,10H,5H2,1H3,(H,14,15)(H,16,17,18);1H2/p-1