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(5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl)methanesulfonic acid

(5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl)methanesulfonic acid

Systemtic Name:(5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl)methanesulfonic acid
Openeye Name:(5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl)methanesulfonic acid
CAS Name:(5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl)methanesulfonic acid
IUPAC Name:(5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl)methanesulfonic acid
Traditional Name:(5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl)methanesulfonic acid
Formula: C10H12NO5S2+
MolecularWeight: 290.33598
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)[N+](=CS2)CS(=O)(=O)O)OC


Isomeric SMILES

COC1=C(C=C2C(=C1)[N+](=CS2)CS(=O)(=O)O)OC


InChI

InChI=1S/C10H11NO5S2/c1-15-8-3-7-10(4-9(8)16-2)17-5-11(7)6-18(12,13)14/h3-5H,6H2,1-2H3/p+1


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