2-methylbuta-1,3-diene; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+)

Systemtic Name: 2-methylbuta-1,3-diene; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+) Openeye Name: isoprene; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+) CAS Name: 2-methylbuta-1,3-diene; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+) IUPAC Name: 2-methylbuta-1,3-diene; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+) Traditional Name: isoprene; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+) Formula: C21H21Zr+ MolecularWeight: 364.61544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(=C)C=C.[Zr+2]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(=C)C=C.[Zr+2]

InChI

InChI=1S/C16H13.C5H8.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-4-5(2)3;/h2-11H,1H3;4H,1-2H2,3H3;/q-1;;+2