3-tert-butyl-1H-inden-1-ide; 2-methylbuta-1,3-diene; zirconium(2+)

Systemtic Name: 3-tert-butyl-1H-inden-1-ide; 2-methylbuta-1,3-diene; zirconium(2+) Openeye Name: 3-tert-butyl-1H-inden-1-ide; isoprene; zirconium(2+) CAS Name: 3-tert-butyl-1H-inden-1-ide; 2-methylbuta-1,3-diene; zirconium(2+) IUPAC Name: 3-tert-butyl-1H-inden-1-ide; 2-methylbuta-1,3-diene; zirconium(2+) Traditional Name: 3-tert-butyl-1H-inden-1-ide; isoprene; zirconium(2+) Formula: C18H23Zr+ MolecularWeight: 330.59922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C=C.CC(C)(C)C1=C[CH-]C2=CC=CC=C21.[Zr+2]

Isomeric SMILES

CC(=C)C=C.CC(C)(C)C1=C[CH-]C2=CC=CC=C21.[Zr+2]

InChI

InChI=1S/C13H15.C5H8.Zr/c1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;1-4-5(2)3;/h4-9H,1-3H3;4H,1-2H2,3H3;/q-1;;+2