methanidylbenzene; phenylmethanol; prop-2-en-1-ol; zirconium(3+)

Systemtic Name: methanidylbenzene; phenylmethanol; prop-2-en-1-ol; zirconium(3+) Openeye Name: methanidylbenzene; phenylmethanol; prop-2-en-1-ol; zirconium(3+) CAS Name: methanidylbenzene; phenylmethanol; 2-propen-1-ol; zirconium(3+) IUPAC Name: methanidylbenzene; phenylmethanol; prop-2-en-1-ol; zirconium(3+) Traditional Name: methanidylbenzene; phenylmethanol; prop-2-en-1-ol; zirconium(3+) Formula: C52H56O2Zr2 MolecularWeight: 895.44784

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.C=CCO.C1=CC=C(C=C1)CO.[Zr+3].[Zr+3]

Isomeric SMILES

[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.[CH2-]C1=CC=CC=C1.C=CCO.C1=CC=C(C=C1)CO.[Zr+3].[Zr+3]

InChI

InChI=1S/C7H8O.6C7H7.C3H6O.2Zr/c8-6-7-4-2-1-3-5-7;6*1-7-5-3-2-4-6-7;1-2-3-4;;/h1-5,8H,6H2;6*2-6H,1H2;2,4H,1,3H2;;/q;6*-1;;2*+3