3-[2-(2-ethoxyprop-1-enyl)-5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[2-(2-ethoxyprop-1-enyl)-5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-(2-ethoxyprop-1-enyl)-5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-(2-ethoxyprop-1-enyl)-5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-(2-ethoxyprop-1-enyl)-5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-(2-ethoxyprop-1-enyl)-5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Formula: C17H23NO6S2 MolecularWeight: 401.49762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=CC1=[N+](C2=CC(=C(C=C2S1)OC)OC)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CCOC(=CC1=[N+](C2=CC(=C(C=C2S1)OC)OC)CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C17H23NO6S2/c1-5-24-12(2)9-17-18(7-6-8-26(19,20)21)13-10-14(22-3)15(23-4)11-16(13)25-17/h9-11H,5-8H2,1-4H3