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

Systemtic Name: 2,9-bis(chloranyl)-5-ethyl-3,8-dimethoxy-benzo[c]cinnolin-5-ium; ethyl sulfate Openeye Name: 2,9-dichloro-5-ethyl-3,8-dimethoxy-benzo[c]cinnolin-5-ium; ethyl sulfate CAS Name: 2,9-dichloro-5-ethyl-3,8-dimethoxybenzo[c]cinnolin-5-ium; ethyl sulfate IUPAC Name: 2,9-dichloro-5-ethyl-3,8-dimethoxybenzo[c]cinnolin-5-ium; ethyl sulfate Traditional Name: 2,9-dichloro-5-ethyl-3,8-dimethoxy-benzo[c]cinnolin-5-ium; ethyl sulfate Formula: C18H20Cl2N2O6S MolecularWeight: 463.3322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15Cl2N2O2.C2H6O4S/c1-4-20-14-8-16(22-3)12(18)6-10(14)9-5-11(17)15(21-2)7-13(9)19-20;1-2-6-7(3,4)5/h5-8H,4H2,1-3H3;2H2,1H3,(H,3,4,5)/q+1;/p-1