3-ethyl-1,3-benzothiazol-3-ium-2-sulfonic acid

Systemtic Name: 3-ethyl-1,3-benzothiazol-3-ium-2-sulfonic acid Openeye Name: 3-ethyl-1,3-benzothiazol-3-ium-2-sulfonic acid CAS Name: 3-ethyl-1,3-benzothiazol-3-ium-2-sulfonic acid IUPAC Name: 3-ethyl-1,3-benzothiazol-3-ium-2-sulfonic acid Traditional Name: 3-ethyl-1,3-benzothiazol-3-ium-2-sulfonic acid Formula: C9H10NO3S2+ MolecularWeight: 244.3106

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)S(=O)(=O)O

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)S(=O)(=O)O

InChI

InChI=1S/C9H9NO3S2/c1-2-10-7-5-3-4-6-8(7)14-9(10)15(11,12)13/h3-6H,2H2,1H3/p+1