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

Systemtic Name: 2-methyl-5-(4-phenyl-1,2-dihydroinden-2-id-1-yl)furan; zirconium(4+); dichloride Openeye Name: 2-methyl-5-(4-phenyl-1,2-dihydroinden-2-id-1-yl)furan; zirconium(4+); dichloride CAS Name: 2-methyl-5-(4-phenyl-1,2-dihydroinden-2-id-1-yl)furan; zirconium(4+); dichloride IUPAC Name: 2-methyl-5-(4-phenyl-1,2-dihydroinden-2-id-1-yl)furan; zirconium(4+); dichloride Traditional Name: 2-methyl-5-(4-phenyl-1,2-dihydroinden-2-id-1-yl)furan; zirconium(4+); dichloride Formula: C40H30Cl2O2Zr MolecularWeight: 704.795

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2[C-]=CC3=C(C=CC=C23)C4=CC=CC=C4.CC1=CC=C(O1)C2[C-]=CC3=C(C=CC=C23)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(O1)C2[C-]=CC3=C(C=CC=C23)C4=CC=CC=C4.CC1=CC=C(O1)C2[C-]=CC3=C(C=CC=C23)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C20H15O.2ClH.Zr/c2*1-14-10-13-20(21-14)19-12-11-18-16(8-5-9-17(18)19)15-6-3-2-4-7-15;;;/h2*2-11,13,19H,1H3;2*1H;/q2*-1;;;+4/p-2