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

Systemtic Name: benzene; cyclopenta-1,3-diene; 2,3-dimethylphenol; diphenylazanide; methane; titanium(3+) Openeye Name: benzene; cyclopenta-1,3-diene; 2,3-dimethylphenol; diphenylazanide; methane; titanium(3+) CAS Name: benzene; cyclopenta-1,3-diene; 2,3-dimethylphenol; diphenylazanide; methane; titanium(3+) IUPAC Name: benzene; cyclopenta-1,3-diene; 2,3-dimethylphenol; diphenylazanide; methane; titanium(3+) Traditional Name: benzene; cyclopenta-1,3-diene; diphenylazanide; methane; titanium(3+); 2,3-xylenol Formula: C50H49N2OTi-2 MolecularWeight: 741.80386

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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)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[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)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[Ti+3]

InChI

InChI=1S/2C12H10N.C8H10O.2C6H5.C5H5.CH4.Ti/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6-4-3-5-8(9)7(6)2;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;/h2*1-10H;3-5,9H,1-2H3;2*1-5H;1-5H;1H4;/q2*-1;;3*-1;;+3