2-methylcyclopenta-1,3-diene; phenol; zirconium(2+)

Systemtic Name: 2-methylcyclopenta-1,3-diene; phenol; zirconium(2+) Openeye Name: 2-methylcyclopenta-1,3-diene; phenol; zirconium(2+) CAS Name: 2-methylcyclopenta-1,3-diene; phenol; zirconium(2+) IUPAC Name: 2-methylcyclopenta-1,3-diene; phenol; zirconium(2+) Traditional Name: 2-methylcyclopenta-1,3-diene; phenol; zirconium(2+) Formula: C24H26O2Zr MolecularWeight: 437.68604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H6O.2C6H7.Zr/c2*7-6-4-2-1-3-5-6;2*1-6-4-2-3-5-6;/h2*1-5,7H;2*2,4H,3H2,1H3;/q;;2*-1;+2