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3-(5,6-dimethoxy-2,3-dihydro-1,3-benzothiazol-2-yl)propane-1-sulfonic acid

3-(5,6-dimethoxy-2,3-dihydro-1,3-benzothiazol-2-yl)propane-1-sulfonic acid

Systemtic Name:3-(5,6-dimethoxy-2,3-dihydro-1,3-benzothiazol-2-yl)propane-1-sulfonic acid
Openeye Name:3-(5,6-dimethoxy-2,3-dihydro-1,3-benzothiazol-2-yl)propane-1-sulfonic acid
CAS Name:3-(5,6-dimethoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-1-propanesulfonic acid
IUPAC Name:3-(5,6-dimethoxy-2,3-dihydro-1,3-benzothiazol-2-yl)propane-1-sulfonic acid
Traditional Name:3-(5,6-dimethoxy-2,3-dihydro-1,3-benzothiazol-2-yl)propane-1-sulfonic acid
Formula: C12H17NO5S2
MolecularWeight: 319.39708
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)NC(S2)CCCS(=O)(=O)O)OC


Isomeric SMILES

COC1=C(C=C2C(=C1)NC(S2)CCCS(=O)(=O)O)OC


InChI

InChI=1S/C12H17NO5S2/c1-17-9-6-8-11(7-10(9)18-2)19-12(13-8)4-3-5-20(14,15)16/h6-7,12-13H,3-5H2,1-2H3,(H,14,15,16)


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