3-bromanylphenol; 2-methyl-1H-inden-1-ide; zirconium(2+)

Systemtic Name: 3-bromanylphenol; 2-methyl-1H-inden-1-ide; zirconium(2+) Openeye Name: 3-bromophenol; 2-methyl-1H-inden-1-ide; zirconium(2+) CAS Name: 3-bromophenol; 2-methyl-1H-inden-1-ide; zirconium(2+) IUPAC Name: 3-bromophenol; 2-methyl-1H-inden-1-ide; zirconium(2+) Traditional Name: 3-bromophenol; 2-methyl-1H-inden-1-ide; zirconium(2+) Formula: C32H28Br2O2Zr MolecularWeight: 695.59552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.C1=CC(=CC(=C1)Br)O.C1=CC(=CC(=C1)Br)O.[Zr+2]

Isomeric SMILES

CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.C1=CC(=CC(=C1)Br)O.C1=CC(=CC(=C1)Br)O.[Zr+2]

InChI

InChI=1S/2C10H9.2C6H5BrO.Zr/c2*1-8-6-9-4-2-3-5-10(9)7-8;2*7-5-2-1-3-6(8)4-5;/h2*2-7H,1H3;2*1-4,8H;/q2*-1;;;+2