2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-inden-1-ide; zirconium(2+); dichloride Formula: C64H68Cl2O4Zr2-2 MolecularWeight: 1154.57632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC3=C([CH-]2)CCCC3.COC1=CC=C(C=C1)C2=CC3=C([CH-]2)CCCC3.COC1=CC=C(C=C1)C2=CC3=C([CH-]2)CCCC3.COC1=CC=C(C=C1)C2=CC3=C([CH-]2)CCCC3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC3=C([CH-]2)CCCC3.COC1=CC=C(C=C1)C2=CC3=C([CH-]2)CCCC3.COC1=CC=C(C=C1)C2=CC3=C([CH-]2)CCCC3.COC1=CC=C(C=C1)C2=CC3=C([CH-]2)CCCC3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C16H17O.2ClH.2Zr/c4*1-17-16-8-6-12(7-9-16)15-10-13-4-2-3-5-14(13)11-15;;;;/h4*6-11H,2-5H2,1H3;2*1H;;/q4*-1;;;2*+2/p-2