4,4a-dihydrofluoren-4-ide; (2E)-3,4-dimethylhexa-2,4-diene; zirconium(2+)

Systemtic Name: 4,4a-dihydrofluoren-4-ide; (2E)-3,4-dimethylhexa-2,4-diene; zirconium(2+) Openeye Name: 4,4a-dihydrofluoren-4-ide; (2E)-3,4-dimethylhexa-2,4-diene; zirconium(2+) CAS Name: 4,4a-dihydrofluoren-4-ide; (2E)-3,4-dimethylhexa-2,4-diene; zirconium(2+) IUPAC Name: 4,4a-dihydrofluoren-4-ide; (2E)-3,4-dimethylhexa-2,4-diene; zirconium(2+) Traditional Name: 4,4a-dihydrofluoren-4-ide; (2E)-3,4-dimethylhexa-2,4-diene; zirconium(2+) Formula: C21H22Zr MolecularWeight: 365.62338

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=[C-]C)C.C1=CC=C2C3[C-]=CC=CC3=CC2=C1.[Zr+2]

Isomeric SMILES

C/C=C(\C)/C(=[C-]C)C.C1=CC=C2C3[C-]=CC=CC3=CC2=C1.[Zr+2]

InChI

InChI=1S/C13H9.C8H13.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-5-7(3)8(4)6-2;/h1-7,9,13H;5H,1-4H3;/q2*-1;+2/b;7-5+;