2-(3,5-ditert-butylphenyl)-1,3-dihydrocyclopenta[b]naphthalen-3-ide; zirconium(2+)

Systemtic Name: 2-(3,5-ditert-butylphenyl)-1,3-dihydrocyclopenta[b]naphthalen-3-ide; zirconium(2+) Openeye Name: 2-(3,5-ditert-butylphenyl)-1,3-dihydrocyclopenta[b]naphthalen-3-ide; zirconium(2+) CAS Name: 2-(3,5-ditert-butylphenyl)-1,3-dihydrocyclopenta[b]naphthalen-3-ide; zirconium(2+) IUPAC Name: 2-(3,5-ditert-butylphenyl)-1,3-dihydrocyclopenta[b]naphthalen-3-ide; zirconium(2+) Traditional Name: 2-(3,5-ditert-butylphenyl)-1,3-dihydrobenz[f]inden-3-ide; zirconium(2+) Formula: C54H58Zr MolecularWeight: 798.26232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=[C-]C3=CC4=CC=CC=C4C=C3C2)C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1)C2=[C-]C3=CC4=CC=CC=C4C=C3C2)C(C)(C)C.[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=[C-]C3=CC4=CC=CC=C4C=C3C2)C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1)C2=[C-]C3=CC4=CC=CC=C4C=C3C2)C(C)(C)C.[Zr+2]

InChI

InChI=1S/2C27H29.Zr/c2*1-26(2,3)24-15-23(16-25(17-24)27(4,5)6)22-13-20-11-18-9-7-8-10-19(18)12-21(20)14-22;/h2*7-12,15-17H,13H2,1-6H3;/q2*-1;+2