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

Systemtic Name: 2-(2-methyl-1H-inden-1-id-4-yl)naphthalene; zirconium(2+); dichloride Openeye Name: 2-(2-methyl-1H-inden-1-id-4-yl)naphthalene; zirconium(2+); dichloride CAS Name: 2-(2-methyl-1H-inden-1-id-4-yl)naphthalene; zirconium(2+); dichloride IUPAC Name: 2-(2-methyl-1H-inden-1-id-4-yl)naphthalene; zirconium(2+); dichloride Traditional Name: 2-(2-methyl-1H-inden-1-id-4-yl)naphthalene; zirconium(2+); dichloride Formula: C80H60Cl2Zr2-2 MolecularWeight: 1274.6864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C20H15.2ClH.2Zr/c4*1-14-11-17-7-4-8-19(20(17)12-14)18-10-9-15-5-2-3-6-16(15)13-18;;;;/h4*2-13H,1H3;2*1H;;/q4*-1;;;2*+2/p-2