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3-[(2Z)-2-[(1-ethylpyridin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid
3-[(2Z)-2-[(1-ethylpyridin-1-ium-4-yl)methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonic acid
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Canonical SMILES:
CC[N+]1=CC=C(C=C1)C=C2N(C3=CC=CC=C3S2)CCCS(=O)(=O)O
Isomeric SMILES
CC[N+]1=CC=C(C=C1)/C=C\2/N(C3=CC=CC=C3S2)CCCS(=O)(=O)O
InChI
InChI=1S/C18H20N2O3S2/c1-2-19-11-8-15(9-12-19)14-18-20(10-5-13-25(21,22)23)16-6-3-4-7-17(16)24-18/h3-4,6-9,11-12,14H,2,5,10,13H2,1H3/p+1
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