iron(2+); [2,3,4,5-tetrakis(phenylmethyl)cyclopenta-1,4-dien-1-yl]methylbenzene

Systemtic Name: iron(2+); [2,3,4,5-tetrakis(phenylmethyl)cyclopenta-1,4-dien-1-yl]methylbenzene Openeye Name: ferrous (2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene CAS Name: iron(2+); [2,3,4,5-tetrakis(phenylmethyl)-1-cyclopenta-1,4-dienyl]methylbenzene IUPAC Name: iron(2+); (2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene Traditional Name: ferrous (2,3,4,5-tetrabenzylcyclopenta-1,4-dien-1-yl)methylbenzene Formula: C80H70Fe MolecularWeight: 1087.2568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[C-]2C(=C(C(=C2CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6.C1=CC=C(C=C1)C[C-]2C(=C(C(=C2CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6.[Fe+2]

Isomeric SMILES

C1=CC=C(C=C1)C[C-]2C(=C(C(=C2CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6.C1=CC=C(C=C1)C[C-]2C(=C(C(=C2CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6.[Fe+2]

InChI

InChI=1S/2C40H35.Fe/c2*1-6-16-31(17-7-1)26-36-37(27-32-18-8-2-9-19-32)39(29-34-22-12-4-13-23-34)40(30-35-24-14-5-15-25-35)38(36)28-33-20-10-3-11-21-33;/h2*1-25H,26-30H2;/q2*-1;+2