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

Systemtic Name: (2E)-3,4-dimethylhexa-2,4-diene; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+) Openeye Name: (2E)-3,4-dimethylhexa-2,4-diene; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+) CAS Name: (2E)-3,4-dimethylhexa-2,4-diene; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+) IUPAC Name: (2E)-3,4-dimethylhexa-2,4-diene; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+) Traditional Name: (2E)-3,4-dimethylhexa-2,4-diene; 2-methyl-4-phenyl-1H-inden-1-ide; zirconium(2+) Formula: C24H26Zr MolecularWeight: 405.68724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13.C8H13.Zr/c1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;1-5-7(3)8(4)6-2;/h2-11H,1H3;5H,1-4H3;/q2*-1;+2/b;7-5+;