methanidylbenzene; phenylmethanol; prop-2-en-1-ol; zirconium

Systemtic Name: methanidylbenzene; phenylmethanol; prop-2-en-1-ol; zirconium Openeye Name: methanidylbenzene; phenylmethanol; prop-2-en-1-ol; zirconium CAS Name: methanidylbenzene; phenylmethanol; 2-propen-1-ol; zirconium IUPAC Name: methanidylbenzene; phenylmethanol; prop-2-en-1-ol; zirconium Traditional Name: methanidylbenzene; phenylmethanol; prop-2-en-1-ol; zirconium Formula: C44H56O6Zr2-2 MolecularWeight: 863.35984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C7H8O.2C7H7.3C3H6O.2Zr/c3*8-6-7-4-2-1-3-5-7;2*1-7-5-3-2-4-6-7;3*1-2-3-4;;/h3*1-5,8H,6H2;2*2-6H,1H2;3*2,4H,1,3H2;;/q;;;2*-1;;;;;