3-ethyl-2-methyl-benzo[g][1,3]benzothiazol-3-ium; ethyl sulfate

Systemtic Name: 3-ethyl-2-methyl-benzo[g][1,3]benzothiazol-3-ium; ethyl sulfate Openeye Name: 3-ethyl-2-methyl-benzo[g][1,3]benzothiazol-3-ium; ethyl sulfate CAS Name: 3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium; ethyl sulfate IUPAC Name: 3-ethyl-2-methylbenzo[g][1,3]benzothiazol-3-ium; ethyl sulfate Traditional Name: 3-ethyl-2-methyl-benzo[g][1,3]benzothiazol-3-ium; ethyl sulfate Formula: C16H19NO4S2 MolecularWeight: 353.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC3=CC=CC=C32)C.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=CC3=CC=CC=C32)C.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C14H14NS.C2H6O4S/c1-3-15-10(2)16-14-12-7-5-4-6-11(12)8-9-13(14)15;1-2-6-7(3,4)5/h4-9H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1