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

Systemtic Name: cyclopenta-1,3-diene; 2,3-dimethylphenol; diphenylazanide; methane; titanium(3+) Openeye Name: cyclopenta-1,3-diene; 2,3-dimethylphenol; diphenylazanide; methane; titanium(3+) CAS Name: cyclopenta-1,3-diene; 2,3-dimethylphenol; diphenylazanide; methane; titanium(3+) IUPAC Name: cyclopenta-1,3-diene; 2,3-dimethylphenol; diphenylazanide; methane; titanium(3+) Traditional Name: cyclopenta-1,3-diene; diphenylazanide; methane; titanium(3+); 2,3-xylenol Formula: C38H39N2OTi MolecularWeight: 587.59606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.CC1=C(C(=CC=C1)O)C.[CH-]1C=CC=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)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[Ti+3]

InChI

InChI=1S/2C12H10N.C8H10O.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;1-2-4-5-3-1;;/h2*1-10H;3-5,9H,1-2H3;1-5H;1H4;/q2*-1;;-1;;+3