2-butylcyclopenta-1,3-diene; (2E)-3,4-dimethylhexa-2,4-diene; zirconium(2+)

Systemtic Name: 2-butylcyclopenta-1,3-diene; (2E)-3,4-dimethylhexa-2,4-diene; zirconium(2+) Openeye Name: 2-butylcyclopenta-1,3-diene; (2E)-3,4-dimethylhexa-2,4-diene; zirconium(2+) CAS Name: 2-butylcyclopenta-1,3-diene; (2E)-3,4-dimethylhexa-2,4-diene; zirconium(2+) IUPAC Name: 2-butylcyclopenta-1,3-diene; (2E)-3,4-dimethylhexa-2,4-diene; zirconium(2+) Traditional Name: 2-butylcyclopenta-1,3-diene; (2E)-3,4-dimethylhexa-2,4-diene; zirconium(2+) Formula: C17H26Zr MolecularWeight: 321.61234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CC=C(C)C(=[C-]C)C.[Zr+2]

Isomeric SMILES

CCCCC1=[C-]CC=C1.C/C=C(\C)/C(=[C-]C)C.[Zr+2]

InChI

InChI=1S/C9H13.C8H13.Zr/c1-2-3-6-9-7-4-5-8-9;1-5-7(3)8(4)6-2;/h4,7H,2-3,5-6H2,1H3;5H,1-4H3;/q2*-1;+2/b;7-5+;