(Z)-3-oxidanyl-1,3-diphenyl-prop-2-en-1-one; thorium

Systemtic Name: (Z)-3-oxidanyl-1,3-diphenyl-prop-2-en-1-one; thorium Openeye Name: (Z)-3-hydroxy-1,3-diphenyl-prop-2-en-1-one; thorium CAS Name: (Z)-3-hydroxy-1,3-diphenyl-2-propen-1-one; thorium IUPAC Name: (Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one; thorium Traditional Name: (Z)-3-hydroxy-1,3-diphenyl-prop-2-en-1-one; thorium Formula: C60H48O8Th MolecularWeight: 1129.05642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C15H12O2.Th/c4*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h4*1-11,16H;/b4*14-11-;