(2E,5E)-2,5-bis[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]cyclopentan-1-one

Systemtic Name: (2E,5E)-2,5-bis[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]cyclopentan-1-one Openeye Name: (2E,5E)-2,5-bis[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]cyclopentanone CAS Name: (2E,5E)-2,5-bis[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-1-cyclopentanone IUPAC Name: (2E,5E)-2,5-bis[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]cyclopentan-1-one Traditional Name: (2E,5E)-2,5-bis(3-bromo-4-hydroxy-5-methoxy-benzylidene)cyclopentanone Formula: C21H18Br2O5 MolecularWeight: 510.17262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2CCC(=CC3=CC(=C(C(=C3)Br)O)OC)C2=O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C(=C3)Br)O)OC)/CC2)Br)O

InChI

InChI=1S/C21H18Br2O5/c1-27-17-9-11(7-15(22)20(17)25)5-13-3-4-14(19(13)24)6-12-8-16(23)21(26)18(10-12)28-2/h5-10,25-26H,3-4H2,1-2H3/b13-5+,14-6+