3-iodanyl-1-(1H-1,2,4-triazol-5-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-olate

Systemtic Name: 3-iodanyl-1-(1H-1,2,4-triazol-5-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-olate Openeye Name: 3-iodo-1-(1H-1,2,4-triazol-5-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-olate CAS Name: 3-iodo-1-(1H-1,2,4-triazol-5-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-olate IUPAC Name: 3-iodo-1-(1H-1,2,4-triazol-5-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-olate Traditional Name: 3-iodo-1-(1H-1,2,4-triazol-5-yliminomethyl)-6,7,8,9-tetrahydrodibenzofuran-2-olate Formula: C15H12IN4O2- MolecularWeight: 407.18585

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(C(=C(C=C3O2)I)[O-])C=NC4=NC=NN4

Isomeric SMILES

C1CCC2=C(C1)C3=C(C(=C(C=C3O2)I)[O-])C=NC4=NC=NN4

InChI

InChI=1S/C15H13IN4O2/c16-10-5-12-13(8-3-1-2-4-11(8)22-12)9(14(10)21)6-17-15-18-7-19-20-15/h5-7,21H,1-4H2,(H,18,19,20)/p-1