5-phenylindeno[1,2-b]indol-9b-ide; zirconium(4+); dichloride

Systemtic Name: 5-phenylindeno[1,2-b]indol-9b-ide; zirconium(4+); dichloride Openeye Name: 5-phenylindeno[1,2-b]indol-9b-ide; zirconium(4+); dichloride CAS Name: 5-phenylindeno[1,2-b]indol-9b-ide; zirconium(4+); dichloride IUPAC Name: 5-phenylindeno[1,2-b]indol-9b-ide; zirconium(4+); dichloride Traditional Name: 5-phenylinden[1,2-b]indol-9b-ide; zirconium(4+); dichloride Formula: C42H28Cl2N2Zr MolecularWeight: 722.81512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3[C-]4C2=C5C=CC=CC5=C4.C1=CC=C(C=C1)N2C3=CC=CC=C3[C-]4C2=C5C=CC=CC5=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3[C-]4C2=C5C=CC=CC5=C4.C1=CC=C(C=C1)N2C3=CC=CC=C3[C-]4C2=C5C=CC=CC5=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C21H14N.2ClH.Zr/c2*1-2-9-16(10-3-1)22-20-13-7-6-12-18(20)19-14-15-8-4-5-11-17(15)21(19)22;;;/h2*1-14H;2*1H;/q2*-1;;;+4/p-2