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

Systemtic Name: benzene; cyclopenta-1,3-diene; diphenylazanide; methane; phenol; titanium(3+) Openeye Name: benzene; cyclopenta-1,3-diene; diphenylazanide; methane; phenol; titanium(3+) CAS Name: benzene; cyclopenta-1,3-diene; diphenylazanide; methane; phenol; titanium(3+) IUPAC Name: benzene; cyclopenta-1,3-diene; diphenylazanide; methane; phenol; titanium(3+) Traditional Name: benzene; cyclopenta-1,3-diene; diphenylazanide; methane; phenol; titanium(3+) Formula: C48H45N2OTi-2 MolecularWeight: 713.7507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H10N.C6H6O.2C6H5.C5H5.CH4.Ti/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;/h2*1-10H;1-5,7H;2*1-5H;1-5H;1H4;/q2*-1;;3*-1;;+3