cyclopenta-1,3-diene; [3-(1,2-diphenylethenyl)-5-methyl-hex-4-en-2-ylidene]azanide; zirconium

Systemtic Name: cyclopenta-1,3-diene; [3-(1,2-diphenylethenyl)-5-methyl-hex-4-en-2-ylidene]azanide; zirconium Openeye Name: cyclopenta-1,3-diene; [2-(1,2-diphenylvinyl)-1,4-dimethyl-pent-3-enylidene]azanide; zirconium CAS Name: cyclopenta-1,3-diene; [3-(1,2-diphenylethenyl)-5-methylhex-4-en-2-ylidene]azanide; zirconium IUPAC Name: cyclopenta-1,3-diene; [3-(1,2-diphenylethenyl)-5-methylhex-4-en-2-ylidene]azanide; zirconium Traditional Name: cyclopenta-1,3-diene; [2-(1,2-diphenylvinyl)-1,4-dimethyl-pent-3-enylidene]azanide; zirconium Formula: C31H31NZr-4 MolecularWeight: 508.80854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N.2C5H5.Zr/c1-16(2)14-20(17(3)22)21(19-12-8-5-9-13-19)15-18-10-6-4-7-11-18;2*1-2-4-5-3-1;/h4-14,20H,1-3H3;2*1-5H;/q-2;2*-1;