3-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate

Systemtic Name: 3-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate Openeye Name: 3-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate CAS Name: 3-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonate IUPAC Name: 3-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate Traditional Name: 3-(6-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=C(C=C2)OC)CCCS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

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