(Z)-4-oxidanyl-4-phenyl-but-3-en-2-one; thallium

Systemtic Name: (Z)-4-oxidanyl-4-phenyl-but-3-en-2-one; thallium Openeye Name: (Z)-4-hydroxy-4-phenyl-but-3-en-2-one; thallium CAS Name: (Z)-4-hydroxy-4-phenyl-3-buten-2-one; thallium IUPAC Name: (Z)-4-hydroxy-4-phenylbut-3-en-2-one; thallium Traditional Name: (Z)-4-hydroxy-4-phenyl-but-3-en-2-one; thallium Formula: C30H30O6Tl MolecularWeight: 690.9389

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=C(C1=CC=CC=C1)O.CC(=O)C=C(C1=CC=CC=C1)O.CC(=O)C=C(C1=CC=CC=C1)O.[Tl]

Isomeric SMILES

CC(=O)/C=C(\O)/C1=CC=CC=C1.CC(=O)/C=C(\O)/C1=CC=CC=C1.CC(=O)/C=C(\O)/C1=CC=CC=C1.[Tl]

InChI

InChI=1S/3C10H10O2.Tl/c3*1-8(11)7-10(12)9-5-3-2-4-6-9;/h3*2-7,12H,1H3;/b3*10-7-;