cyclopentane; 1-ethenyl-2-methanidyl-benzene; phenylmethanol; zirconium(3+)

Systemtic Name: cyclopentane; 1-ethenyl-2-methanidyl-benzene; phenylmethanol; zirconium(3+) Openeye Name: cyclopentane; 1-methanidyl-2-vinyl-benzene; phenylmethanol; zirconium(3+) CAS Name: cyclopentane; 1-ethenyl-2-methanidylbenzene; phenylmethanol; zirconium(3+) IUPAC Name: cyclopentane; 1-ethenyl-2-methanidylbenzene; phenylmethanol; zirconium(3+) Traditional Name: cyclopentane; 1-methanidyl-2-vinyl-benzene; phenylmethanol; zirconium(3+) Formula: C26H27OZr+2 MolecularWeight: 446.71598

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C1=CC=CC=C1C=C.C1=CC=C(C=C1)CO.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

Isomeric SMILES

[CH2-]C1=CC=CC=C1C=C.C1=CC=C(C=C1)CO.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+3]

InChI

InChI=1S/C9H9.C7H8O.2C5H5.Zr/c1-3-9-7-5-4-6-8(9)2;8-6-7-4-2-1-3-5-7;2*1-2-4-5-3-1;/h3-7H,1-2H2;1-5,8H,6H2;2*1-5H;/q-1;;;;+3