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

Systemtic Name: 3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfo-propanoic acid hydroxide Openeye Name: 3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfo-propanoic acid hydroxide CAS Name: 3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfopropanoic acid hydroxide IUPAC Name: 3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfopropanoic acid hydroxide Traditional Name: 3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfo-propionic acid hydroxide Formula: C12H16NO7S2- MolecularWeight: 350.38794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6S2.H2O/c1-7-13(6-11(12(14)15)21(16,17)18)9-5-8(19-2)3-4-10(9)20-7;/h3-5,7,11H,6H2,1-2H3,(H,14,15)(H,16,17,18);1H2/p-1