cyclopenta-1,3-diene; 5-cyclopenta-1,4-dien-1-yl-2,7-diphenyl-6-(1-phenylethenyl)-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 5-cyclopenta-1,4-dien-1-yl-2,7-diphenyl-6-(1-phenylethenyl)-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 5-cyclopenta-1,4-dien-1-yl-2,7-diphenyl-6-(1-phenylvinyl)-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione CAS Name: cyclopenta-1,3-diene; 5-(1-cyclopenta-1,4-dienyl)-2,7-diphenyl-6-(1-phenylethenyl)-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 5-cyclopenta-1,4-dien-1-yl-2,7-diphenyl-6-(1-phenylethenyl)-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 5-cyclopenta-1,4-dien-1-yl-2,7-diphenyl-6-(1-phenylvinyl)-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-quinone Formula: C36H29FeN3O2 MolecularWeight: 591.47936

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=CC=C1)C2=C(CN3C(=O)N(C(=O)N3C2C4=C[CH-]C=C4)C5=CC=CC=C5)C6=CC=CC=C6.[CH-]1C=CC=C1.[Fe+2]

Isomeric SMILES

C=C(C1=CC=CC=C1)C2=C(CN3C(=O)N(C(=O)N3C2C4=C[CH-]C=C4)C5=CC=CC=C5)C6=CC=CC=C6.[CH-]1C=CC=C1.[Fe+2]

InChI

InChI=1S/C31H24N3O2.C5H5.Fe/c1-22(23-13-5-2-6-14-23)28-27(24-15-7-3-8-16-24)21-32-30(35)33(26-19-9-4-10-20-26)31(36)34(32)29(28)25-17-11-12-18-25;1-2-4-5-3-1;/h2-20,29H,1,21H2;1-5H;/q2*-1;+2