3,10-dimethyl-1H-indeno[1,2-b]indol-1-ide; zirconium(2+); dichloride

Systemtic Name: 3,10-dimethyl-1H-indeno[1,2-b]indol-1-ide; zirconium(2+); dichloride Openeye Name: 3,10-dimethyl-1H-indeno[1,2-b]indol-1-ide; zirconium(2+); dichloride CAS Name: 3,10-dimethyl-1H-indeno[1,2-b]indol-1-ide; zirconium(2+); dichloride IUPAC Name: 3,10-dimethyl-1H-indeno[1,2-b]indol-1-ide; zirconium(2+); dichloride Traditional Name: 3,10-dimethyl-1H-inden[1,2-b]indol-1-ide; zirconium(2+); dichloride Formula: C68H48Cl2N4Zr2-2 MolecularWeight: 1174.48952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([C-]=C1)C(=C3C2=NC4=CC=CC=C43)C.CC1=CC2=C([C-]=C1)C(=C3C2=NC4=CC=CC=C43)C.CC1=CC2=C([C-]=C1)C(=C3C2=NC4=CC=CC=C43)C.CC1=CC2=C([C-]=C1)C(=C3C2=NC4=CC=CC=C43)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C([C-]=C1)C(=C3C2=NC4=CC=CC=C43)C.CC1=CC2=C([C-]=C1)C(=C3C2=NC4=CC=CC=C43)C.CC1=CC2=C([C-]=C1)C(=C3C2=NC4=CC=CC=C43)C.CC1=CC2=C([C-]=C1)C(=C3C2=NC4=CC=CC=C43)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C17H12N.2ClH.2Zr/c4*1-10-7-8-12-11(2)16-13-5-3-4-6-15(13)18-17(16)14(12)9-10;;;;/h4*3-7,9H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2