8-(1-chloranyl-2-iodanyl-2-phenyl-ethyl)-3-iodanyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium

Systemtic Name: 8-(1-chloranyl-2-iodanyl-2-phenyl-ethyl)-3-iodanyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 8-(1-chloro-2-iodo-2-phenyl-ethyl)-3-iodo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 8-(1-chloro-2-iodo-2-phenylethyl)-3-iodo-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 8-(1-chloro-2-iodo-2-phenylethyl)-3-iodo-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 8-(1-chloro-2-iodo-2-phenyl-ethyl)-3-iodo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C17H11ClI2N4O MolecularWeight: 576.55738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-])Cl)I

Isomeric SMILES

C1=CC=C(C=C1)C(C(C2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-])Cl)I

InChI

InChI=1S/C17H11ClI2N4O/c18-15(16(20)10-4-2-1-3-5-10)11-6-7-13-14(8-11)23-17(22-24(13)25)12(19)9-21-23/h1-9,15-16H