cyclopenta-1,3-diene; nickel(2+); (2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene

Systemtic Name: cyclopenta-1,3-diene; nickel(2+); (2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene Openeye Name: nickelous; cyclopenta-1,3-diene; (2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene CAS Name: cyclopenta-1,3-diene; nickel(2+); (2,3,4,5-tetraphenyl-1-cyclopenta-1,4-dienyl)benzene IUPAC Name: cyclopenta-1,3-diene; nickel(2+); (2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene Traditional Name: nickelous; cyclopenta-1,3-diene; (2,3,4,5-tetraphenylcyclopenta-1,4-dien-1-yl)benzene Formula: C40H30Ni MolecularWeight: 569.3596

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.C1=CC=C(C=C1)[C-]2C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[Ni+2]

Isomeric SMILES

[CH-]1C=CC=C1.C1=CC=C(C=C1)[C-]2C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[Ni+2]

InChI

InChI=1S/C35H25.C5H5.Ni/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-2-4-5-3-1;/h1-25H;1-5H;/q2*-1;+2