benzene; 1,5-dihydroinden-5-ide; 2,3-dimethylphenol; silicon; titanium(3+); diphenoxide

Systemtic Name: benzene; 1,5-dihydroinden-5-ide; 2,3-dimethylphenol; silicon; titanium(3+); diphenoxide Openeye Name: benzene; 1,5-dihydroinden-5-ide; 2,3-dimethylphenol; silicon; titanium(3+); diphenoxide CAS Name: benzene; 1,5-dihydroinden-5-ide; 2,3-dimethylphenol; silicon; titanium(3+); diphenoxide IUPAC Name: benzene; 1,5-dihydroinden-5-ide; 2,3-dimethylphenol; silicon; titanium(3+); diphenoxide Traditional Name: benzene; 1,5-dihydroinden-5-ide; silicon; titanium(3+); 2,3-xylenol; diphenoxide Formula: C41H37O3SiTi-2 MolecularWeight: 653.68318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)O)C.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

CC1=C(C(=CC=C1)O)C.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/C9H7.C8H10O.2C6H6O.2C6H5.Si.Ti/c1-2-5-9-7-3-6-8(9)4-1;1-6-4-3-5-8(9)7(6)2;2*7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;;/h1,3-5,7H,6H2;3-5,9H,1-2H3;2*1-5,7H;2*1-5H;;/q-1;;;;2*-1;;+3/p-2