benzene; 2-tert-butyl-4-chloranyl-phenol; 1,5-dihydroinden-5-ide; silicon; titanium(3+); diphenoxide

Systemtic Name: benzene; 2-tert-butyl-4-chloranyl-phenol; 1,5-dihydroinden-5-ide; silicon; titanium(3+); diphenoxide Openeye Name: benzene; 2-tert-butyl-4-chloro-phenol; 1,5-dihydroinden-5-ide; silicon; titanium(3+); diphenoxide CAS Name: benzene; 2-tert-butyl-4-chlorophenol; 1,5-dihydroinden-5-ide; silicon; titanium(3+); diphenoxide IUPAC Name: benzene; 2-tert-butyl-4-chlorophenol; 1,5-dihydroinden-5-ide; silicon; titanium(3+); diphenoxide Traditional Name: benzene; 2-tert-butyl-4-chloro-phenol; 1,5-dihydroinden-5-ide; silicon; titanium(3+); diphenoxide Formula: C43H40ClO3SiTi-2 MolecularWeight: 716.1814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Cl)O.C1C=CC2=C[C-]=CC=C21.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

CC(C)(C)C1=C(C=CC(=C1)Cl)O.C1C=CC2=C[C-]=CC=C21.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/C10H13ClO.C9H7.2C6H6O.2C6H5.Si.Ti/c1-10(2,3)8-6-7(11)4-5-9(8)12;1-2-5-9-7-3-6-8(9)4-1;2*7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;;/h4-6,12H,1-3H3;1,3-5,7H,6H2;2*1-5,7H;2*1-5H;;/q;-1;;;2*-1;;+3/p-2