cyclopenta-1,3-diene; 5-methylcyclopenta-1,3-diene; prop-1-yne; zirconium(3+)

Systemtic Name: cyclopenta-1,3-diene; 5-methylcyclopenta-1,3-diene; prop-1-yne; zirconium(3+) Openeye Name: cyclopenta-1,3-diene; 5-methylcyclopenta-1,3-diene; prop-1-yne; zirconium(3+) CAS Name: cyclopenta-1,3-diene; 5-methylcyclopenta-1,3-diene; 1-propyne; zirconium(3+) IUPAC Name: cyclopenta-1,3-diene; 5-methylcyclopenta-1,3-diene; prop-1-yne; zirconium(3+) Traditional Name: cyclopenta-1,3-diene; 5-methylcyclopenta-1,3-diene; prop-1-yne; zirconium(3+) Formula: C28H30Zr2 MolecularWeight: 548.9858

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Descriptors Computed from Structure

Canonical SMILES:

CC#[C-].CC#[C-].C[C-]1C=CC=C1.C[C-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Zr+3].[Zr+3]

Isomeric SMILES

CC#[C-].CC#[C-].C[C-]1C=CC=C1.C[C-]1C=CC=C1.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Zr+3].[Zr+3]

InChI

InChI=1S/2C6H7.2C5H5.2C3H3.2Zr/c2*1-6-4-2-3-5-6;2*1-2-4-5-3-1;2*1-3-2;;/h2*2-5H,1H3;2*1-5H;2*1H3;;/q6*-1;2*+3