2-tert-butyl-4-methyl-phenol; 1-(2-inden-1-ylethyl)indene; zirconium(2+)

Systemtic Name: 2-tert-butyl-4-methyl-phenol; 1-(2-inden-1-ylethyl)indene; zirconium(2+) Openeye Name: 2-tert-butyl-4-methyl-phenol; 1-(2-inden-1-ylethyl)indene; zirconium(2+) CAS Name: 2-tert-butyl-4-methylphenol; 1-[2-(1-indenyl)ethyl]indene; zirconium(2+) IUPAC Name: 2-tert-butyl-4-methylphenol; 1-(2-inden-1-ylethyl)indene; zirconium(2+) Traditional Name: 2-tert-butyl-4-methyl-phenol; 1-(2-inden-1-ylethyl)indene; zirconium(2+) Formula: C42H48O2Zr+2 MolecularWeight: 676.05332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)C.CC1=CC(=C(C=C1)O)C(C)(C)C.C1=C[C]2[CH][CH][C]([C]2C=C1)CC[C]3[CH][CH][C]4[C]3C=CC=C4.[Zr+2]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)(C)C.CC1=CC(=C(C=C1)O)C(C)(C)C.C1=C[C]2[CH][CH][C]([C]2C=C1)CC[C]3[CH][CH][C]4[C]3C=CC=C4.[Zr+2]

InChI

InChI=1S/C20H16.2C11H16O.Zr/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;2*1-8-5-6-10(12)9(7-8)11(2,3)4;/h1-12H,13-14H2;2*5-7,12H,1-4H3;/q;;;+2