1-[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]adamantane; zirconium(2+); dichloride

Systemtic Name: 1-[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]adamantane; zirconium(2+); dichloride Openeye Name: 1-[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]adamantane; zirconium(2+); dichloride CAS Name: 1-[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]adamantane; zirconium(2+); dichloride IUPAC Name: 1-[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]adamantane; zirconium(2+); dichloride Traditional Name: 1-[4-(2-ethyl-1H-inden-1-id-4-yl)phenyl]adamantane; zirconium(2+); dichloride Formula: C27H29Cl2Zr- MolecularWeight: 515.64916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/C27H29.2ClH.Zr/c1-2-18-13-23-4-3-5-25(26(23)14-18)22-6-8-24(9-7-22)27-15-19-10-20(16-27)12-21(11-19)17-27;;;/h3-9,13-14,19-21H,2,10-12,15-17H2,1H3;2*1H;/q-1;;;+2/p-2