(3E)-3-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-5-(4-methylphenyl)furan-2-one

Systemtic Name: (3E)-3-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-5-(4-methylphenyl)furan-2-one Openeye Name: (3E)-3-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylene]-5-(p-tolyl)furan-2-one CAS Name: (3E)-3-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-5-(4-methylphenyl)-2-furanone IUPAC Name: (3E)-3-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-5-(4-methylphenyl)furan-2-one Traditional Name: (3E)-3-(4-allyloxy-3-bromo-5-methoxy-benzylidene)-5-(p-tolyl)furan-2-one Formula: C22H19BrO4 MolecularWeight: 427.28786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=CC3=CC(=C(C(=C3)Br)OCC=C)OC)C(=O)O2

Isomeric SMILES

CC1=CC=C(C=C1)C2=C/C(=C\C3=CC(=C(C(=C3)Br)OCC=C)OC)/C(=O)O2

InChI

InChI=1S/C22H19BrO4/c1-4-9-26-21-18(23)11-15(12-20(21)25-3)10-17-13-19(27-22(17)24)16-7-5-14(2)6-8-16/h4-8,10-13H,1,9H2,2-3H3/b17-10+