2-methylbuta-1,3-diene; 3-propan-2-yl-1H-inden-1-ide; zirconium(2+)

Systemtic Name: 2-methylbuta-1,3-diene; 3-propan-2-yl-1H-inden-1-ide; zirconium(2+) Openeye Name: isoprene; 3-isopropyl-1H-inden-1-ide; zirconium(2+) CAS Name: 2-methylbuta-1,3-diene; 3-propan-2-yl-1H-inden-1-ide; zirconium(2+) IUPAC Name: 2-methylbuta-1,3-diene; 3-propan-2-yl-1H-inden-1-ide; zirconium(2+) Traditional Name: isoprene; 3-isopropyl-1H-inden-1-ide; zirconium(2+) Formula: C17H21Zr+ MolecularWeight: 316.57264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13.C5H8.Zr/c1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-4-5(2)3;/h3-9H,1-2H3;4H,1-2H2,3H3;/q-1;;+2