4-oxidanylphenolate; 1-phenylbutane-1,3-dione; titanium(4+)

Systemtic Name: 4-oxidanylphenolate; 1-phenylbutane-1,3-dione; titanium(4+) Openeye Name: 4-hydroxyphenolate; 1-phenylbutane-1,3-dione; titanium(4+) CAS Name: 4-hydroxyphenolate; 1-phenylbutane-1,3-dione; titanium(4+) IUPAC Name: 4-hydroxyphenolate; 1-phenylbutane-1,3-dione; titanium(4+) Traditional Name: 4-hydroxyphenolate; 1-phenylbutane-1,3-dione; titanium(4+) Formula: C32H28O8Ti MolecularWeight: 588.42692

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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(=CC=C1O)[O-].C1=CC(=CC=C1O)[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(=CC=C1O)[O-].C1=CC(=CC=C1O)[O-].[Ti+4]

InChI

InChI=1S/2C10H9O2.2C6H6O2.Ti/c2*1-8(11)7-10(12)9-5-3-2-4-6-9;2*7-5-1-2-6(8)4-3-5;/h2*2-7H,1H3;2*1-4,7-8H;/q2*-1;;;+4/p-2