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

Systemtic Name: benzene; cyclopenta-1,3-diene; 2,3-dimethylphenol; methane; methanolate; titanium(3+) Openeye Name: benzene; cyclopenta-1,3-diene; 2,3-dimethylphenol; methane; methanolate; titanium(3+) CAS Name: benzene; cyclopenta-1,3-diene; 2,3-dimethylphenol; methane; methanolate; titanium(3+) IUPAC Name: benzene; cyclopenta-1,3-diene; 2,3-dimethylphenol; methane; methanolate; titanium(3+) Traditional Name: benzene; cyclopenta-1,3-diene; methane; methanolate; titanium(3+); 2,3-xylenol Formula: C28H35O3Ti-2 MolecularWeight: 467.4427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10O.2C6H5.C5H5.2CH3O.CH4.Ti/c1-6-4-3-5-8(9)7(6)2;2*1-2-4-6-5-3-1;1-2-4-5-3-1;2*1-2;;/h3-5,9H,1-2H3;2*1-5H;1-5H;2*1H3;1H4;/q;5*-1;;+3