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

Systemtic Name: 2,9-bis(chloranyl)-5-ethyl-benzo[c]cinnolin-5-ium; ethyl sulfate Openeye Name: 2,9-dichloro-5-ethyl-benzo[c]cinnolin-5-ium; ethyl sulfate CAS Name: 2,9-dichloro-5-ethylbenzo[c]cinnolin-5-ium; ethyl sulfate IUPAC Name: 2,9-dichloro-5-ethylbenzo[c]cinnolin-5-ium; ethyl sulfate Traditional Name: 2,9-dichloro-5-ethyl-benzo[c]cinnolin-5-ium; ethyl sulfate Formula: C16H16Cl2N2O4S MolecularWeight: 403.28024

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=CC(=CC2=C3C=C(C=CC3=N1)Cl)Cl.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C2C=CC(=CC2=C3C=C(C=CC3=N1)Cl)Cl.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C14H11Cl2N2.C2H6O4S/c1-2-18-14-6-4-10(16)8-12(14)11-7-9(15)3-5-13(11)17-18;1-2-6-7(3,4)5/h3-8H,2H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1