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

Systemtic Name: 3-[2-(2-ethoxyprop-1-enyl)-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-(2-ethoxyprop-1-enyl)-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-(2-ethoxyprop-1-enyl)-5-methoxy-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-(2-ethoxyprop-1-enyl)-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-(2-ethoxyprop-1-enyl)-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Formula: C16H21NO5S2 MolecularWeight: 371.47164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5S2/c1-4-22-12(2)10-16-17(8-5-9-24(18,19)20)14-11-13(21-3)6-7-15(14)23-16/h6-7,10-11H,4-5,8-9H2,1-3H3