6-(1,3-benzothiazol-3-ium-3-yl)hexanoic acid

Systemtic Name: 6-(1,3-benzothiazol-3-ium-3-yl)hexanoic acid Openeye Name: 6-(1,3-benzothiazol-3-ium-3-yl)hexanoic acid CAS Name: 6-(1,3-benzothiazol-3-ium-3-yl)hexanoic acid IUPAC Name: 6-(1,3-benzothiazol-3-ium-3-yl)hexanoic acid Traditional Name: 6-(1,3-benzothiazol-3-ium-3-yl)hexanoic acid Formula: C13H16NO2S+ MolecularWeight: 250.33664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CCCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CCCCCC(=O)O

InChI

InChI=1S/C13H15NO2S/c15-13(16)8-2-1-5-9-14-10-17-12-7-4-3-6-11(12)14/h3-4,6-7,10H,1-2,5,8-9H2/p+1