3-(2-methylthieno[2,3-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(2-methylthieno[2,3-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(2-methylthieno[2,3-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(2-methyl-1-thieno[2,3-e][1,3]benzothiazol-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(2-methylthieno[2,3-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(2-methylthieno[2,3-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonate Formula: C13H13NO3S3 MolecularWeight: 327.44222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC3=C2SC=C3)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC3=C2SC=C3)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C13H13NO3S3/c1-9-14(6-2-8-20(15,16)17)12-11(19-9)4-3-10-5-7-18-13(10)12/h3-5,7H,2,6,8H2,1H3