4-(1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonic acid

Systemtic Name: 4-(1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonic acid Openeye Name: 4-(1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonic acid CAS Name: 4-(1,3-benzothiazol-3-ium-3-yl)-1-butanesulfonic acid IUPAC Name: 4-(1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonic acid Traditional Name: 4-(1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonic acid Formula: C11H14NO3S2+ MolecularWeight: 272.36376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO3S2/c13-17(14,15)8-4-3-7-12-9-16-11-6-2-1-5-10(11)12/h1-2,5-6,9H,3-4,7-8H2/p+1