bis(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)methanone; 1-(2-oxidanylnaphthalen-1-yl)naphthalen-2-ol; propan-2-ol; zirconium

Systemtic Name: bis(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)methanone; 1-(2-oxidanylnaphthalen-1-yl)naphthalen-2-ol; propan-2-ol; zirconium Openeye Name: bis(3-tert-butyl-2-hydroxy-5-methyl-phenyl)methanone; 1-(2-hydroxy-1-naphthyl)naphthalen-2-ol; propan-2-ol; zirconium CAS Name: bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methanone; 1-(2-hydroxy-1-naphthalenyl)-2-naphthalenol; 2-propanol; zirconium IUPAC Name: bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methanone; 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol; propan-2-ol; zirconium Traditional Name: bis(3-tert-butyl-2-hydroxy-5-methyl-phenyl)methanone; 1-(2-hydroxy-1-naphthyl)-2-naphthol; propan-2-ol; zirconium Formula: C69H74O9Zr2 MolecularWeight: 1229.76846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)C2=CC(=CC(=C2O)C(C)(C)C)C)O)C(C)(C)C.CC(C)O.CC(C)O.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.[Zr].[Zr]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)C2=CC(=CC(=C2O)C(C)(C)C)C)O)C(C)(C)C.CC(C)O.CC(C)O.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O.[Zr].[Zr]

InChI

InChI=1S/C23H30O3.2C20H14O2.2C3H8O.2Zr/c1-13-9-15(20(25)17(11-13)22(3,4)5)19(24)16-10-14(2)12-18(21(16)26)23(6,7)8;2*21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22;2*1-3(2)4;;/h9-12,25-26H,1-8H3;2*1-12,21-22H;2*3-4H,1-2H3;;