3-[2-[(Z)-2-methylsulfanylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-[(Z)-2-methylsulfanylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Openeye Name: 3-[2-[(Z)-2-methylsulfanylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid CAS Name: 3-[2-[(Z)-2-(methylthio)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[2-[(Z)-2-methylsulfanylprop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Traditional Name: 3-[2-[(Z)-2-(methylthio)prop-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonic acid Formula: C14H18NO3S3+ MolecularWeight: 344.49262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)O)SC

Isomeric SMILES

C/C(=C/C1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)O)/SC

InChI

InChI=1S/C14H17NO3S3/c1-11(19-2)10-14-15(8-5-9-21(16,17)18)12-6-3-4-7-13(12)20-14/h3-4,6-7,10H,5,8-9H2,1-2H3/p+1/b11-10-