benzene; cyclopenta-1,3-diene; methanidylbenzene; zirconium(4+)

Systemtic Name: benzene; cyclopenta-1,3-diene; methanidylbenzene; zirconium(4+) Openeye Name: benzene; cyclopenta-1,3-diene; methanidylbenzene; zirconium(4+) CAS Name: benzene; cyclopenta-1,3-diene; methanidylbenzene; zirconium(4+) IUPAC Name: benzene; cyclopenta-1,3-diene; methanidylbenzene; zirconium(4+) Traditional Name: benzene; cyclopenta-1,3-diene; methanidylbenzene; zirconium(4+) Formula: C46H44Zr2 MolecularWeight: 779.28956

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Zr+4].[Zr+4]

Isomeric SMILES

[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Zr+4].[Zr+4]

InChI

InChI=1S/2C7H7.2C6H5.4C5H5.2Zr/c2*1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;4*1-2-4-5-3-1;;/h2*2-6H,1H2;2*1-5H;4*1-3H,4H2;;/q8*-1;2*+4