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

Systemtic Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2,3-dimethyl-phenol; diphenylazanide; methane; titanium(2+) Openeye Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2,3-dimethyl-phenol; diphenylazanide; methane; titanium(2+) CAS Name: 4-(3-tert-butyl-1-cyclopenta-1,3-dienyl)-2,3-dimethylphenol; diphenylazanide; methane; titanium(2+) IUPAC Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2,3-dimethylphenol; diphenylazanide; methane; titanium(2+) Traditional Name: 4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2,3-dimethyl-phenol; diphenylazanide; methane; titanium(2+) Formula: C42H46N2OTi MolecularWeight: 642.69444

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Descriptors Computed from Structure

Canonical SMILES:

C.CC1=C(C=CC(=C1C)O)C2=CC(=CC2)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.CC1=C(C=CC(=C1C)O)C2=CC(=CC2)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/C17H22O.2C12H10N.CH4.Ti/c1-11-12(2)16(18)9-8-15(11)13-6-7-14(10-13)17(3,4)5;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h7-10,18H,6H2,1-5H3;2*1-10H;1H4;/q;2*-1;;+2