4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; diphenylazanide; methane; titanium(2+)

Systemtic Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; diphenylazanide; methane; titanium(2+) Openeye Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; diphenylazanide; methane; titanium(2+) CAS Name: 4-(3-tert-butyl-1-cyclopenta-1,3-dienyl)-2-phenylphenol; diphenylazanide; methane; titanium(2+) IUPAC Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenylphenol; diphenylazanide; methane; titanium(2+) Traditional Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; diphenylazanide; methane; titanium(2+) Formula: C46H46N2OTi MolecularWeight: 690.73724

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(C)(C)C1=CCC(=C1)C2=CC(=C(C=C2)O)C3=CC=CC=C3.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[Ti+2]

Isomeric SMILES

C.CC(C)(C)C1=CCC(=C1)C2=CC(=C(C=C2)O)C3=CC=CC=C3.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.C1=CC=C(C=C1)[N-]C2=CC=CC=C2.[Ti+2]

InChI

InChI=1S/C21H22O.2C12H10N.CH4.Ti/c1-21(2,3)18-11-9-16(13-18)17-10-12-20(22)19(14-17)15-7-5-4-6-8-15;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h4-8,10-14,22H,9H2,1-3H3;2*1-10H;1H4;/q;2*-1;;+2