cyclopenta-1,3-diene; 1,4-diphenylbuta-1,2,3-trienylbenzene; zirconium

Systemtic Name: cyclopenta-1,3-diene; 1,4-diphenylbuta-1,2,3-trienylbenzene; zirconium Openeye Name: cyclopenta-1,3-diene; 1,4-diphenylbuta-1,2,3-trienylbenzene; zirconium CAS Name: cyclopenta-1,3-diene; 1,4-diphenylbuta-1,2,3-trienylbenzene; zirconium IUPAC Name: cyclopenta-1,3-diene; 1,4-diphenylbuta-1,2,3-trienylbenzene; zirconium Traditional Name: cyclopenta-1,3-diene; 1,4-diphenylbuta-1,2,3-trienylbenzene; zirconium Formula: C32H24Zr-4 MolecularWeight: 499.75696

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)[C-]=C=C=C(C2=CC=CC=C2)C3=CC=CC=[C-]3.[Zr]

Isomeric SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC=C(C=C1)[C-]=C=C=C(C2=CC=CC=C2)C3=CC=CC=[C-]3.[Zr]

InChI

InChI=1S/C22H14.2C5H5.Zr/c1-4-11-19(12-5-1)13-10-18-22(20-14-6-2-7-15-20)21-16-8-3-9-17-21;2*1-2-4-5-3-1;/h1-9,11-12,14-16H;2*1-5H;/q-2;2*-1;