(2E)-3,4-dimethylhexa-2,4-diene; 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+)

Systemtic Name: (2E)-3,4-dimethylhexa-2,4-diene; 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+) Openeye Name: (2E)-3,4-dimethylhexa-2,4-diene; 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+) CAS Name: (2E)-3,4-dimethylhexa-2,4-diene; 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+) IUPAC Name: (2E)-3,4-dimethylhexa-2,4-diene; 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+) Traditional Name: (2E)-3,4-dimethylhexa-2,4-diene; 2-ethyl-4-phenyl-1H-inden-1-ide; zirconium(2+) Formula: C25H28Zr MolecularWeight: 419.71382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC=C(C)C(=[C-]C)C.[Zr+2]

Isomeric SMILES

CCC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.C/C=C(\C)/C(=[C-]C)C.[Zr+2]

InChI

InChI=1S/C17H15.C8H13.Zr/c1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;1-5-7(3)8(4)6-2;/h3-12H,2H2,1H3;5H,1-4H3;/q2*-1;+2/b;7-5+;