cyclopenta-1,3-diene; 2-methylphenol; 4-methylphenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 2-methylphenol; 4-methylphenol; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; o-cresol; p-cresol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 2-methylphenol; 4-methylphenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 2-methylphenol; 4-methylphenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; o-cresol; p-cresol; zirconium(2+) Formula: C48H52O4Zr2 MolecularWeight: 875.37208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)O.CC1=CC=C(C=C1)O.CC1=CC=CC=C1O.CC1=CC=CC=C1O.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC=C(C=C1)O.CC1=CC=C(C=C1)O.CC1=CC=CC=C1O.CC1=CC=CC=C1O.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2].[Zr+2]

InChI

InChI=1S/4C7H8O.4C5H5.2Zr/c2*1-6-2-4-7(8)5-3-6;2*1-6-4-2-3-5-7(6)8;4*1-2-4-5-3-1;;/h4*2-5,8H,1H3;4*1-3H,4H2;;/q;;;;4*-1;2*+2