butane; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; 1-(3H-inden-3-id-1-yl)-5-methyl-naphthalene; zirconium(4+)

Systemtic Name: butane; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; 1-(3H-inden-3-id-1-yl)-5-methyl-naphthalene; zirconium(4+) Openeye Name: butane; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; 1-(3H-inden-3-id-1-yl)-5-methyl-naphthalene; zirconium(4+) CAS Name: butane; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; 1-(3H-inden-3-id-1-yl)-5-methylnaphthalene; zirconium(4+) IUPAC Name: butane; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; 1-(3H-inden-3-id-1-yl)-5-methylnaphthalene; zirconium(4+) Traditional Name: butane; 2,7-ditert-butyl-1,9-dihydrofluoren-1-ide; 1-(3H-inden-3-id-1-yl)-5-methyl-naphthalene; zirconium(4+) Formula: C49H58Zr MolecularWeight: 738.20882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].CC1=CC=CC2=C1C=CC=C2C3=C[CH-]C4=CC=CC=C43.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.[Zr+4]

Isomeric SMILES

CCC[CH2-].CCC[CH2-].CC1=CC=CC2=C1C=CC=C2C3=C[CH-]C4=CC=CC=C43.CC(C)(C)C1=CC2=C(C=C1)C3=CC=C([C-]=C3C2)C(C)(C)C.[Zr+4]

InChI

InChI=1S/C21H25.C20H15.2C4H9.Zr/c1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;1-14-6-4-10-18-16(14)9-5-11-19(18)20-13-12-15-7-2-3-8-17(15)20;2*1-3-4-2;/h7-10,12H,11H2,1-6H3;2-13H,1H3;2*1,3-4H2,2H3;/q4*-1;+4