1-phenylbutane-1,3-dione; thallium(3+)

Systemtic Name: 1-phenylbutane-1,3-dione; thallium(3+) Openeye Name: 1-phenylbutane-1,3-dione; thallium(3+) CAS Name: 1-phenylbutane-1,3-dione; thallium(3+) IUPAC Name: 1-phenylbutane-1,3-dione; thallium(3+) Traditional Name: 1-phenylbutane-1,3-dione; thallium(3+) Formula: C30H27O6Tl MolecularWeight: 687.91508

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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.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Tl+3]

Isomeric SMILES

CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Tl+3]

InChI

InChI=1S/3C10H9O2.Tl/c3*1-8(11)7-10(12)9-5-3-2-4-6-9;/h3*2-7H,1H3;/q3*-1;+3