benzene; cyclopenta-1,3-diene; propan-2-ol; zirconium(3+)

Systemtic Name: benzene; cyclopenta-1,3-diene; propan-2-ol; zirconium(3+) Openeye Name: benzene; cyclopenta-1,3-diene; propan-2-ol; zirconium(3+) CAS Name: benzene; cyclopenta-1,3-diene; 2-propanol; zirconium(3+) IUPAC Name: benzene; cyclopenta-1,3-diene; propan-2-ol; zirconium(3+) Traditional Name: benzene; cyclopenta-1,3-diene; propan-2-ol; zirconium(3+) Formula: C20H23OZr MolecularWeight: 370.62002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.C1C=CC=[C-]1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Zr+3]

Isomeric SMILES

CC(C)O.C1C=CC=[C-]1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Zr+3]

InChI

InChI=1S/2C6H5.C5H5.C3H8O.Zr/c2*1-2-4-6-5-3-1;1-2-4-5-3-1;1-3(2)4;/h2*1-5H;1-3H,4H2;3-4H,1-2H3;/q3*-1;;+3