3-ethyl-5-fluoranyl-2-methyl-1,3-benzothiazol-3-ium; ethyl sulfate

Systemtic Name: 3-ethyl-5-fluoranyl-2-methyl-1,3-benzothiazol-3-ium; ethyl sulfate Openeye Name: 3-ethyl-5-fluoro-2-methyl-1,3-benzothiazol-3-ium; ethyl sulfate CAS Name: 3-ethyl-5-fluoro-2-methyl-1,3-benzothiazol-3-ium; ethyl sulfate IUPAC Name: 3-ethyl-5-fluoro-2-methyl-1,3-benzothiazol-3-ium; ethyl sulfate Traditional Name: 3-ethyl-5-fluoro-2-methyl-1,3-benzothiazol-3-ium; ethyl sulfate Formula: C12H16FNO4S2 MolecularWeight: 321.388143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11FNS.C2H6O4S/c1-3-12-7(2)13-10-5-4-8(11)6-9(10)12;1-2-6-7(3,4)5/h4-6H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1