benzene; cyclopenta-1,3-diene; 2,3-dimethylphenol; methane; titanium(3+); diphenoxide

Systemtic Name: benzene; cyclopenta-1,3-diene; 2,3-dimethylphenol; methane; titanium(3+); diphenoxide Openeye Name: benzene; cyclopenta-1,3-diene; 2,3-dimethylphenol; methane; titanium(3+); diphenoxide CAS Name: benzene; cyclopenta-1,3-diene; 2,3-dimethylphenol; methane; titanium(3+); diphenoxide IUPAC Name: benzene; cyclopenta-1,3-diene; 2,3-dimethylphenol; methane; titanium(3+); diphenoxide Traditional Name: benzene; cyclopenta-1,3-diene; methane; titanium(3+); 2,3-xylenol; diphenoxide Formula: C38H39O3Ti-2 MolecularWeight: 591.58146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10O.2C6H6O.2C6H5.C5H5.CH4.Ti/c1-6-4-3-5-8(9)7(6)2;2*7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;/h3-5,9H,1-2H3;2*1-5,7H;2*1-5H;1-5H;1H4;/q;;;3*-1;;+3/p-2