2-methyl-5-[4-(4-propylphenyl)-1,2-dihydroinden-2-id-1-yl]furan; zirconium(4+); dichloride

Systemtic Name: 2-methyl-5-[4-(4-propylphenyl)-1,2-dihydroinden-2-id-1-yl]furan; zirconium(4+); dichloride Openeye Name: 2-methyl-5-[4-(4-propylphenyl)-1,2-dihydroinden-2-id-1-yl]furan; zirconium(4+); dichloride CAS Name: 2-methyl-5-[4-(4-propylphenyl)-1,2-dihydroinden-2-id-1-yl]furan; zirconium(4+); dichloride IUPAC Name: 2-methyl-5-[4-(4-propylphenyl)-1,2-dihydroinden-2-id-1-yl]furan; zirconium(4+); dichloride Traditional Name: 2-methyl-5-[4-(4-propylphenyl)-1,2-dihydroinden-2-id-1-yl]furan; zirconium(4+); dichloride Formula: C46H42Cl2O2Zr MolecularWeight: 788.95448

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.CCCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.CCCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C23H21O.2ClH.Zr/c2*1-3-5-17-9-11-18(12-10-17)19-6-4-7-20-21(19)13-14-22(20)23-15-8-16(2)24-23;;;/h2*4,6-13,15,22H,3,5H2,1-2H3;2*1H;/q2*-1;;;+4/p-2