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

Systemtic Name: 4-(dimethylamino)phenolate; 1-phenylbutane-1,3-dione; titanium(4+); hydrochloride Openeye Name: 4-(dimethylamino)phenolate; 1-phenylbutane-1,3-dione; titanium(4+); hydrochloride CAS Name: 4-(dimethylamino)phenolate; 1-phenylbutane-1,3-dione; titanium(4+); hydrochloride IUPAC Name: 4-(dimethylamino)phenolate; 1-phenylbutane-1,3-dione; titanium(4+); hydrochloride Traditional Name: 4-(dimethylamino)phenolate; 1-phenylbutane-1,3-dione; titanium(4+); hydrochloride Formula: C36H39ClN2O6Ti MolecularWeight: 679.02466

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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-].Cl.[Ti+4]

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-].Cl.[Ti+4]

InChI

InChI=1S/2C10H9O2.2C8H11NO.ClH.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;1H;/q2*-1;;;;+4/p-2