carbanide; diphenylazanide; methane; 4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; titanium(2+)

Systemtic Name: carbanide; diphenylazanide; methane; 4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; titanium(2+) Openeye Name: carbanide; diphenylazanide; methane; 4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; titanium(2+) CAS Name: carbanide; diphenylazanide; methane; 4-(3-methyl-1-cyclopenta-1,3-dienyl)phenol; titanium(2+) IUPAC Name: carbanide; diphenylazanide; methane; 4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; titanium(2+) Traditional Name: carbanide; diphenylazanide; methane; 4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; titanium(2+) Formula: C39H42N2OTi-2 MolecularWeight: 602.63058

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Descriptors Computed from Structure

Canonical SMILES:

C.[CH3-].[CH3-].CC1=CCC(=C1)C2=CC=C(C=C2)O.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.[CH3-].[CH3-].CC1=CCC(=C1)C2=CC=C(C=C2)O.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/2C12H10N.C12H12O.CH4.2CH3.Ti/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-9-2-3-11(8-9)10-4-6-12(13)7-5-10;;;;/h2*1-10H;2,4-8,13H,3H2,1H3;1H4;2*1H3;/q2*-1;;;2*-1;+2