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

Systemtic Name: carbanide; diphenylazanide; methane; 4-(3-methylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; titanium(2+) Openeye Name: carbanide; diphenylazanide; methane; 4-(3-methylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; titanium(2+) CAS Name: carbanide; diphenylazanide; methane; 4-(3-methyl-1-cyclopenta-1,3-dienyl)-2-phenylphenol; titanium(2+) IUPAC Name: carbanide; diphenylazanide; methane; 4-(3-methylcyclopenta-1,3-dien-1-yl)-2-phenylphenol; titanium(2+) Traditional Name: carbanide; diphenylazanide; methane; 4-(3-methylcyclopenta-1,3-dien-1-yl)-2-phenyl-phenol; titanium(2+) Formula: C45H46N2OTi-2 MolecularWeight: 678.72654

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Descriptors Computed from Structure

Canonical SMILES:

C.[CH3-].[CH3-].CC1=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.[CH3-].[CH3-].CC1=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/C18H16O.2C12H10N.CH4.2CH3.Ti/c1-13-7-8-15(11-13)16-9-10-18(19)17(12-16)14-5-3-2-4-6-14;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;;;/h2-7,9-12,19H,8H2,1H3;2*1-10H;1H4;2*1H3;/q;2*-1;;2*-1;+2