benzene; 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; silicon; titanium(3+); diphenoxide

Systemtic Name: benzene; 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; silicon; titanium(3+); diphenoxide Openeye Name: benzene; 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; silicon; titanium(3+); diphenoxide CAS Name: benzene; 2-tert-butyl-4-methylphenol; cyclopenta-1,3-diene; silicon; titanium(3+); diphenoxide IUPAC Name: benzene; 2-tert-butyl-4-methylphenol; cyclopenta-1,3-diene; silicon; titanium(3+); diphenoxide Traditional Name: benzene; 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; silicon; titanium(3+); diphenoxide Formula: C40H41O3SiTi-2 MolecularWeight: 645.70424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)C.[CH-]1C=CC=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Si].[Ti+3]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)(C)C.[CH-]1C=CC=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Si].[Ti+3]

InChI

InChI=1S/C11H16O.2C6H6O.2C6H5.C5H5.Si.Ti/c1-8-5-6-10(12)9(7-8)11(2,3)4;2*7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;/h5-7,12H,1-4H3;2*1-5,7H;2*1-5H;1-5H;;/q;;;3*-1;;+3/p-2