benzenesulfonate; 2,3-diethyl-1,3-benzothiazol-3-ium

Systemtic Name: benzenesulfonate; 2,3-diethyl-1,3-benzothiazol-3-ium Openeye Name: benzenesulfonate; 2,3-diethyl-1,3-benzothiazol-3-ium CAS Name: benzenesulfonate; 2,3-diethyl-1,3-benzothiazol-3-ium IUPAC Name: benzenesulfonate; 2,3-diethyl-1,3-benzothiazol-3-ium Traditional Name: 2,3-diethyl-1,3-benzothiazol-3-ium besylate Formula: C17H19NO3S2 MolecularWeight: 349.46766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[N+](C2=CC=CC=C2S1)CC.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=[N+](C2=CC=CC=C2S1)CC.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H14NS.C6H6O3S/c1-3-11-12(4-2)9-7-5-6-8-10(9)13-11;7-10(8,9)6-4-2-1-3-5-6/h5-8H,3-4H2,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1