4-(dimethylamino)phenolate; 2,2,6,6-tetramethylheptane-3,5-dione; titanium

Systemtic Name: 4-(dimethylamino)phenolate; 2,2,6,6-tetramethylheptane-3,5-dione; titanium Openeye Name: 4-(dimethylamino)phenolate; 2,2,6,6-tetramethylheptane-3,5-dione; titanium CAS Name: 4-(dimethylamino)phenolate; 2,2,6,6-tetramethylheptane-3,5-dione; titanium IUPAC Name: 4-(dimethylamino)phenolate; 2,2,6,6-tetramethylheptane-3,5-dione; titanium Traditional Name: 4-(dimethylamino)phenolate; 2,2,6,6-tetramethylheptane-3,5-dione; titanium Formula: C38H58N2O6Ti-4 MolecularWeight: 686.74392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H19O2.2C8H11NO.Ti/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;2*1-9(2)7-3-5-8(10)6-4-7;/h2*7H,1-6H3;2*3-6,10H,1-2H3;/q2*-1;;;/p-2