2-ethyl-4-phenyl-1H-inden-1-ide; [(1E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene; zirconium(2+)

Systemtic Name: 2-ethyl-4-phenyl-1H-inden-1-ide; [(1E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene; zirconium(2+) Openeye Name: [(E)-2,3-diphenyl-1-(phenylmethylene)allyl]benzene; 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+) CAS Name: 2-ethyl-4-phenyl-1H-inden-1-ide; [(1E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene; zirconium(2+) IUPAC Name: 2-ethyl-4-phenyl-1H-inden-1-ide; [(1E)-1,3,4-triphenylbuta-1,3-dien-2-yl]benzene; zirconium(2+) Traditional Name: [(E)-2,3-diphenyl-1-(phenylmethylene)allyl]benzene; 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+) Formula: C45H36Zr MolecularWeight: 667.99134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C1=CC=C(C=C1)C=C(C2=CC=CC=C2)C(=[C-]C3=CC=CC=C3)C4=CC=CC=C4.[Zr+2]

Isomeric SMILES

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/C(=[C-]C3=CC=CC=C3)C4=CC=CC=C4.[Zr+2]

InChI

InChI=1S/C28H21.C17H15.Zr/c1-5-13-23(14-6-1)21-27(25-17-9-3-10-18-25)28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24;1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;/h1-21H;3-12H,2H2,1H3;/q2*-1;+2/b27-21+;;