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

Systemtic Name: benzene; cyclopenta-1,3-diene; ethanolate; zirconium(4+) Openeye Name: benzene; cyclopenta-1,3-diene; ethanolate; zirconium(4+) CAS Name: benzene; cyclopenta-1,3-diene; ethanolate; zirconium(4+) IUPAC Name: benzene; cyclopenta-1,3-diene; ethanolate; zirconium(4+) Traditional Name: benzene; cyclopenta-1,3-diene; ethanolate; zirconium(4+) Formula: C18H20OZr MolecularWeight: 343.5748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5.2C5H5.C2H5O.Zr/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-3;/h1-5H;2*1-3H,4H2;2H2,1H3;/q4*-1;+4