1H-inden-1-ide; 2-methylphenol; zirconium(2+)

Systemtic Name: 1H-inden-1-ide; 2-methylphenol; zirconium(2+) Openeye Name: 1H-inden-1-ide; o-cresol; zirconium(2+) CAS Name: 1H-inden-1-ide; 2-methylphenol; zirconium(2+) IUPAC Name: 1H-inden-1-ide; 2-methylphenol; zirconium(2+) Traditional Name: 1H-inden-1-ide; o-cresol; zirconium(2+) Formula: C32H30O2Zr MolecularWeight: 537.8034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1O.CC1=CC=CC=C1O.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Zr+2]

Isomeric SMILES

CC1=CC=CC=C1O.CC1=CC=CC=C1O.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Zr+2]

InChI

InChI=1S/2C9H7.2C7H8O.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-6-4-2-3-5-7(6)8;/h2*1-7H;2*2-5,8H,1H3;/q2*-1;;;+2