2,9-bis(chloranyl)-5-ethoxy-3,8-dimethyl-benzo[c]cinnolin-5-ium; ethyl sulfate

Systemtic Name: 2,9-bis(chloranyl)-5-ethoxy-3,8-dimethyl-benzo[c]cinnolin-5-ium; ethyl sulfate Openeye Name: 2,9-dichloro-5-ethoxy-3,8-dimethyl-benzo[c]cinnolin-5-ium; ethyl sulfate CAS Name: 2,9-dichloro-5-ethoxy-3,8-dimethylbenzo[c]cinnolin-5-ium; ethyl sulfate IUPAC Name: 2,9-dichloro-5-ethoxy-3,8-dimethylbenzo[c]cinnolin-5-ium; ethyl sulfate Traditional Name: 2,9-dichloro-5-ethoxy-3,8-dimethyl-benzo[c]cinnolin-5-ium; ethyl sulfate Formula: C18H20Cl2N2O5S MolecularWeight: 447.3328

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Descriptors Computed from Structure

Canonical SMILES:

CCO[N+]1=NC2=CC(=C(C=C2C3=CC(=C(C=C31)C)Cl)Cl)C.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCO[N+]1=NC2=CC(=C(C=C2C3=CC(=C(C=C31)C)Cl)Cl)C.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C16H15Cl2N2O.C2H6O4S/c1-4-21-20-16-6-10(3)14(18)8-12(16)11-7-13(17)9(2)5-15(11)19-20;1-2-6-7(3,4)5/h5-8H,4H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1