3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium; ethyl sulfate

Systemtic Name: 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium; ethyl sulfate Openeye Name: 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium; ethyl sulfate CAS Name: 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium; ethyl sulfate IUPAC Name: 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium; ethyl sulfate Traditional Name: 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium; ethyl sulfate Formula: C13H19NO4S2 MolecularWeight: 317.42426

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)C)C.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)C)C.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C11H14NS.C2H6O4S/c1-4-12-9(3)13-11-6-5-8(2)7-10(11)12;1-2-6-7(3,4)5/h5-7H,4H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1