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3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate

3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate

Systemtic Name:3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Openeye Name:3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
CAS Name:3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonate
IUPAC Name:3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Traditional Name:3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Formula: C12H15NO4S2
MolecularWeight: 301.3818
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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-]


Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-]


InChI

InChI=1S/C12H15NO4S2/c1-9-13(6-3-7-19(14,15)16)11-8-10(17-2)4-5-12(11)18-9/h4-5,8H,3,6-7H2,1-2H3


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