butane; 3-tert-butyl-1-methyl-cyclopenta-1,3-diene; 7-chloranyl-4-methoxy-1-phenyl-fluoren-1-ide; zirconium(3+)

Systemtic Name: butane; 3-tert-butyl-1-methyl-cyclopenta-1,3-diene; 7-chloranyl-4-methoxy-1-phenyl-fluoren-1-ide; zirconium(3+) Openeye Name: butane; 3-tert-butyl-1-methyl-cyclopenta-1,3-diene; 7-chloro-4-methoxy-1-phenyl-fluoren-1-ide; zirconium(3+) CAS Name: butane; 3-tert-butyl-1-methylcyclopenta-1,3-diene; 7-chloro-4-methoxy-1-phenylfluoren-1-ide; zirconium(3+) IUPAC Name: butane; 3-tert-butyl-1-methylcyclopenta-1,3-diene; 7-chloro-4-methoxy-1-phenylfluoren-1-ide; zirconium(3+) Traditional Name: butane; 3-tert-butyl-1-methyl-cyclopenta-1,3-diene; 7-chloro-4-methoxy-1-phenyl-fluoren-1-ide; zirconium(3+) Formula: C38H48ClOZr MolecularWeight: 647.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCC[CH2-].CCC[CH2-].CC1=CC(=CC1)C(C)(C)C.COC1=C2C3=C(C=C(C=C3)Cl)C=C2[C-](C=C1)C4=CC=CC=C4.[Zr+3]

Isomeric SMILES

CCC[CH2-].CCC[CH2-].CC1=CC(=CC1)C(C)(C)C.COC1=C2C3=C(C=C(C=C3)Cl)C=C2[C-](C=C1)C4=CC=CC=C4.[Zr+3]

InChI

InChI=1S/C20H14ClO.C10H16.2C4H9.Zr/c1-22-19-10-9-16(13-5-3-2-4-6-13)18-12-14-11-15(21)7-8-17(14)20(18)19;1-8-5-6-9(7-8)10(2,3)4;2*1-3-4-2;/h2-12H,1H3;6-7H,5H2,1-4H3;2*1,3-4H2,2H3;/q-1;;2*-1;+3