3-(2-methyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride

Systemtic Name: 3-(2-methyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride Openeye Name: 3-(2-methyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride CAS Name: 3-(2-methyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride IUPAC Name: 3-(2-methyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride Traditional Name: 3-(2-methyl-1H-inden-1-id-4-yl)quinoline; zirconium(2+); dichloride Formula: C38H28Cl2N2Zr2 MolecularWeight: 765.99632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4N=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4N=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4N=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4N=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C19H14N.2ClH.2Zr/c2*1-13-9-14-6-4-7-17(18(14)10-13)16-11-15-5-2-3-8-19(15)20-12-16;;;;/h2*2-12H,1H3;2*1H;;/q2*-1;;;2*+2/p-2