2-[5-(4-methylphenyl)furan-2-yl]-5H-benzimidazol-5-ide; yttrium

Systemtic Name: 2-[5-(4-methylphenyl)furan-2-yl]-5H-benzimidazol-5-ide; yttrium Openeye Name: 2-[5-(p-tolyl)-2-furyl]-5H-benzimidazol-5-ide; yttrium CAS Name: 2-[5-(4-methylphenyl)-2-furanyl]-5H-benzimidazol-5-ide; yttrium IUPAC Name: 2-[5-(4-methylphenyl)furan-2-yl]-5H-benzimidazol-5-ide; yttrium Traditional Name: 2-[5-(p-tolyl)-2-furyl]-5H-benzimidazol-5-ide; yttrium Formula: C18H13N2OY16- MolecularWeight: 1695.80222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C[CH-]C=CC4=N3.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C[CH-]C=CC4=N3.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]

InChI

InChI=1S/C18H13N2O.16Y/c1-12-6-8-13(9-7-12)16-10-11-17(21-16)18-19-14-4-2-3-5-15(14)20-18;;;;;;;;;;;;;;;;/h2-11H,1H3;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;