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

Systemtic Name: 2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide; zirconium(2+); dichloride Openeye Name: 2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide; zirconium(2+); dichloride CAS Name: 2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide; zirconium(2+); dichloride IUPAC Name: 2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide; zirconium(2+); dichloride Traditional Name: 2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide; zirconium(2+); dichloride Formula: C52H48Cl2N4Zr2-2 MolecularWeight: 982.31832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1C)[CH-]C3=CC=CC=C32.CC1=CC2=C(N1C)[CH-]C3=CC=CC=C32.CC1=CC2=C(N1C)[CH-]C3=CC=CC=C32.CC1=CC2=C(N1C)[CH-]C3=CC=CC=C32.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C(N1C)[CH-]C3=CC=CC=C32.CC1=CC2=C(N1C)[CH-]C3=CC=CC=C32.CC1=CC2=C(N1C)[CH-]C3=CC=CC=C32.CC1=CC2=C(N1C)[CH-]C3=CC=CC=C32.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C13H12N.2ClH.2Zr/c4*1-9-7-12-11-6-4-3-5-10(11)8-13(12)14(9)2;;;;/h4*3-8H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2