4-(dimethylamino)phenolate; 1-phenylbutane-1,3-dione; titanium

Systemtic Name: 4-(dimethylamino)phenolate; 1-phenylbutane-1,3-dione; titanium Openeye Name: 4-(dimethylamino)phenolate; 1-phenylbutane-1,3-dione; titanium CAS Name: 4-(dimethylamino)phenolate; 1-phenylbutane-1,3-dione; titanium IUPAC Name: 4-(dimethylamino)phenolate; 1-phenylbutane-1,3-dione; titanium Traditional Name: 4-(dimethylamino)phenolate; 1-phenylbutane-1,3-dione; titanium Formula: C36H38N2O6Ti-4 MolecularWeight: 642.56372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CN(C)C1=CC=C(C=C1)[O-].CN(C)C1=CC=C(C=C1)[O-].[Ti]

Isomeric SMILES

CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CN(C)C1=CC=C(C=C1)[O-].CN(C)C1=CC=C(C=C1)[O-].[Ti]

InChI

InChI=1S/2C10H9O2.2C8H11NO.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-9(2)7-3-5-8(10)6-4-7;/h2*2-7H,1H3;2*3-6,10H,1-2H3;/q2*-1;;;/p-2