benzoic acid; ethylidenezirconium; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene

Systemtic Name: benzoic acid; ethylidenezirconium; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene Openeye Name: benzoic acid; ethylidenezirconium; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene CAS Name: benzoic acid; ethylidenezirconium; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene IUPAC Name: benzoic acid; ethylidenezirconium; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene Traditional Name: benzoic acid; ethylidenezirconium; 1,2,3,5,5-pentamethylcyclopenta-1,3-diene Formula: C36H46O4Zr-2 MolecularWeight: 633.97204

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Descriptors Computed from Structure

Canonical SMILES:

CC=[Zr].CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC=[Zr].CC1=[C-]C(C(=C1C)C)(C)C.CC1=[C-]C(C(=C1C)C)(C)C.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/2C10H15.2C7H6O2.C2H4.Zr/c2*1-7-6-10(4,5)9(3)8(7)2;2*8-7(9)6-4-2-1-3-5-6;1-2;/h2*1-5H3;2*1-5H,(H,8,9);1H,2H3;/q2*-1;;;;