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3-ethoxycarbonyl-2-ethyl-6,7,8-tris(fluoranyl)cinnolin-2-ium-4-olate

3-ethoxycarbonyl-2-ethyl-6,7,8-tris(fluoranyl)cinnolin-2-ium-4-olate

Systemtic Name:3-ethoxycarbonyl-2-ethyl-6,7,8-tris(fluoranyl)cinnolin-2-ium-4-olate
Openeye Name:3-ethoxycarbonyl-2-ethyl-6,7,8-trifluoro-cinnolin-2-ium-4-olate
CAS Name:3-ethoxycarbonyl-2-ethyl-6,7,8-trifluoro-4-cinnolin-2-iumolate
IUPAC Name:3-ethoxycarbonyl-2-ethyl-6,7,8-trifluorocinnolin-2-ium-4-olate
Traditional Name:3-carbethoxy-2-ethyl-6,7,8-trifluoro-cinnolin-2-ium-4-olate
Formula: C13H11F3N2O3
MolecularWeight: 300.23325
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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=NC2=C(C(=C(C=C2C(=C1C(=O)OCC)[O-])F)F)F


Isomeric SMILES

CC[N+]1=NC2=C(C(=C(C=C2C(=C1C(=O)OCC)[O-])F)F)F


InChI

InChI=1S/C13H11F3N2O3/c1-3-18-11(13(20)21-4-2)12(19)6-5-7(14)8(15)9(16)10(6)17-18/h5H,3-4H2,1-2H3


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