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2-[2-(cyanomethyl)-1,3-benzothiazol-3-ium-3-yl]propanoic acid iodide

2-[2-(cyanomethyl)-1,3-benzothiazol-3-ium-3-yl]propanoic acid iodide

Systemtic Name:2-[2-(cyanomethyl)-1,3-benzothiazol-3-ium-3-yl]propanoic acid iodide
Openeye Name:2-[2-(cyanomethyl)-1,3-benzothiazol-3-ium-3-yl]propanoic acid iodide
CAS Name:2-[2-(cyanomethyl)-1,3-benzothiazol-3-ium-3-yl]propanoic acid iodide
IUPAC Name:2-[2-(cyanomethyl)-1,3-benzothiazol-3-ium-3-yl]propanoic acid iodide
Traditional Name:2-[2-(cyanomethyl)-1,3-benzothiazol-3-ium-3-yl]propionic acid iodide
Formula: C12H11IN2O2S
MolecularWeight: 374.19741
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1=C(SC2=CC=CC=C21)CC#N.[I-]


Isomeric SMILES

CC(C(=O)O)[N+]1=C(SC2=CC=CC=C21)CC#N.[I-]


InChI

InChI=1S/C12H10N2O2S.HI/c1-8(12(15)16)14-9-4-2-3-5-10(9)17-11(14)6-7-13;/h2-5,8H,6H2,1H3;1H


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