2-methyl-4-phenyl-1H-inden-1-ide; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; zirconium(2+)

Systemtic Name: 2-methyl-4-phenyl-1H-inden-1-ide; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; zirconium(2+) Openeye Name: 2-methyl-4-phenyl-1H-inden-1-ide; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; zirconium(2+) CAS Name: 2-methyl-4-phenyl-1H-inden-1-ide; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; zirconium(2+) IUPAC Name: 2-methyl-4-phenyl-1H-inden-1-ide; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; zirconium(2+) Traditional Name: 2-methyl-4-phenyl-1H-inden-1-ide; [(1E,3E)-4-phenylbuta-1,3-dienyl]benzene; zirconium(2+) Formula: C48H40Zr MolecularWeight: 708.0552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C1=CC=C(C=C1)C=CC=CC2=CC=CC=C2.[Zr+2]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C1=CC=C(C=C1)/C=C/C=C/C2=CC=CC=C2.[Zr+2]

InChI

InChI=1S/2C16H13.C16H14.Zr/c2*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;/h2*2-11H,1H3;1-14H;/q2*-1;;+2/b;;13-7+,14-8+;