2-methyl-3-phenyl-4H-indeno[2,1-b]pyrrol-4-ide; zirconium(2+); dichloride

Systemtic Name: 2-methyl-3-phenyl-4H-indeno[2,1-b]pyrrol-4-ide; zirconium(2+); dichloride Openeye Name: 2-methyl-3-phenyl-4H-indeno[2,1-b]pyrrol-4-ide; zirconium(2+); dichloride CAS Name: 2-methyl-3-phenyl-4H-indeno[2,1-b]pyrrol-4-ide; zirconium(2+); dichloride IUPAC Name: 2-methyl-3-phenyl-4H-indeno[2,1-b]pyrrol-4-ide; zirconium(2+); dichloride Traditional Name: 2-methyl-3-phenyl-4H-indeno[2,1-b]pyrrol-4-ide; zirconium(2+); dichloride Formula: C72H56Cl2N4Zr2-2 MolecularWeight: 1230.59584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C3=CC=CC=C3)[CH-]C4=CC=CC=C42.CC1=CC2=C(N1C3=CC=CC=C3)[CH-]C4=CC=CC=C42.CC1=CC2=C(N1C3=CC=CC=C3)[CH-]C4=CC=CC=C42.CC1=CC2=C(N1C3=CC=CC=C3)[CH-]C4=CC=CC=C42.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C(N1C3=CC=CC=C3)[CH-]C4=CC=CC=C42.CC1=CC2=C(N1C3=CC=CC=C3)[CH-]C4=CC=CC=C42.CC1=CC2=C(N1C3=CC=CC=C3)[CH-]C4=CC=CC=C42.CC1=CC2=C(N1C3=CC=CC=C3)[CH-]C4=CC=CC=C42.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C18H14N.2ClH.2Zr/c4*1-13-11-17-16-10-6-5-7-14(16)12-18(17)19(13)15-8-3-2-4-9-15;;;;/h4*2-12H,1H3;2*1H;;/q4*-1;;;2*+2/p-2