3-(3-oxidanylidene-1-phenyl-butyl)chromene-2,4-dione; thallium(1+)

Systemtic Name: 3-(3-oxidanylidene-1-phenyl-butyl)chromene-2,4-dione; thallium(1+) Openeye Name: 3-(3-oxo-1-phenyl-butyl)chromane-2,4-dione; thallium(1+) CAS Name: 3-(3-oxo-1-phenylbutyl)-3,4-dihydro-2H-1-benzopyran-2,4-dione; thallium(1+) IUPAC Name: 3-(3-oxo-1-phenylbutyl)chromene-2,4-dione; thallium(1+) Traditional Name: 3-(3-keto-1-phenyl-butyl)chroman-2,4-quinone; thallium(1+) Formula: C19H16O4Tl+ MolecularWeight: 512.71124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1C(=O)C2=CC=CC=C2OC1=O)C3=CC=CC=C3.[Tl+]

Isomeric SMILES

CC(=O)CC(C1C(=O)C2=CC=CC=C2OC1=O)C3=CC=CC=C3.[Tl+]

InChI

InChI=1S/C19H16O4.Tl/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;/h2-10,15,17H,11H2,1H3;/q;+1