methyl 4-(3-oxidanylidene-3-phenyl-propanoyl)benzoate; thorium

Systemtic Name: methyl 4-(3-oxidanylidene-3-phenyl-propanoyl)benzoate; thorium Openeye Name: methyl 4-(3-oxo-3-phenyl-propanoyl)benzoate; thorium CAS Name: 4-(1,3-dioxo-3-phenylpropyl)benzoic acid methyl ester; thorium IUPAC Name: methyl 4-(3-oxo-3-phenylpropanoyl)benzoate; thorium Traditional Name: 4-(3-keto-3-phenyl-propanoyl)benzoic acid methyl ester; thorium Formula: C85H70O20Th MolecularWeight: 1643.4914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.COC(=O)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.COC(=O)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.COC(=O)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.COC(=O)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.[Th]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.COC(=O)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.COC(=O)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.COC(=O)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.COC(=O)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.[Th]

InChI

InChI=1S/5C17H14O4.Th/c5*1-21-17(20)14-9-7-13(8-10-14)16(19)11-15(18)12-5-3-2-4-6-12;/h5*2-10H,11H2,1H3;