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

Systemtic Name: 2-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)phenol; diphenylazanide; methane; titanium(2+) Openeye Name: 2-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)phenol; diphenylazanide; methane; titanium(2+) CAS Name: 2-tert-butyl-4-(3-tert-butyl-1-cyclopenta-1,3-dienyl)phenol; diphenylazanide; methane; titanium(2+) IUPAC Name: 2-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)phenol; diphenylazanide; methane; titanium(2+) Traditional Name: 2-tert-butyl-4-(3-tert-butylcyclopenta-1,3-dien-1-yl)phenol; diphenylazanide; methane; titanium(2+) Formula: C44H50N2OTi MolecularWeight: 670.7476

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(C)(C)C1=CCC(=C1)C2=CC(=C(C=C2)O)C(C)(C)C.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)C(C)(C)C.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/C19H26O.2C12H10N.CH4.Ti/c1-18(2,3)15-9-7-13(11-15)14-8-10-17(20)16(12-14)19(4,5)6;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h8-12,20H,7H2,1-6H3;2*1-10H;1H4;/q;2*-1;;+2