2-oxidanidyl-2,2-diphenyl-ethanoate; 1-phenylbutane-1,3-dione; titanium(4+)

Systemtic Name: 2-oxidanidyl-2,2-diphenyl-ethanoate; 1-phenylbutane-1,3-dione; titanium(4+) Openeye Name: 2-oxido-2,2-diphenyl-acetate; 1-phenylbutane-1,3-dione; titanium(4+) CAS Name: 2-oxido-2,2-diphenylacetate; 1-phenylbutane-1,3-dione; titanium(4+) IUPAC Name: 2-oxido-2,2-diphenylacetate; 1-phenylbutane-1,3-dione; titanium(4+) Traditional Name: 2-oxido-2,2-diphenyl-acetate; 1-phenylbutane-1,3-dione; titanium(4+) Formula: C48H38O10Ti-2 MolecularWeight: 822.67632

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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.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])[O-].C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])[O-].[Ti+4]

Isomeric SMILES

CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])[O-].C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])[O-].[Ti+4]

InChI

InChI=1S/2C14H11O3.2C10H9O2.Ti/c2*15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*1-8(11)7-10(12)9-5-3-2-4-6-9;/h2*1-10H,(H,15,16);2*2-7H,1H3;/q4*-1;+4/p-2