3-iodanyl-8-octoxy-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium

Systemtic Name: 3-iodanyl-8-octoxy-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 3-iodo-8-octoxy-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-iodo-8-octoxy-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-iodo-8-octoxy-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 3-iodo-8-octoxy-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C17H21IN4O2 MolecularWeight: 440.27871

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)I)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)I)[O-]

InChI

InChI=1S/C17H21IN4O2/c1-2-3-4-5-6-7-10-24-13-8-9-15-16(11-13)21-17(20-22(15)23)14(18)12-19-21/h8-9,11-12H,2-7,10H2,1H3