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

Systemtic Name: (2E,5E)-2,5-bis[(3-chloranyl-5-ethoxy-4-oxidanyl-phenyl)methylidene]cyclopentan-1-one Openeye Name: (2E,5E)-2,5-bis[(3-chloro-5-ethoxy-4-hydroxy-phenyl)methylene]cyclopentanone CAS Name: (2E,5E)-2,5-bis[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-1-cyclopentanone IUPAC Name: (2E,5E)-2,5-bis[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]cyclopentan-1-one Traditional Name: (2E,5E)-2,5-bis(3-chloro-5-ethoxy-4-hydroxy-benzylidene)cyclopentanone Formula: C23H22Cl2O5 MolecularWeight: 449.32378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2CCC(=CC3=CC(=C(C(=C3)Cl)O)OCC)C2=O)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C(=C3)Cl)O)OCC)/CC2)Cl)O

InChI

InChI=1S/C23H22Cl2O5/c1-3-29-19-11-13(9-17(24)22(19)27)7-15-5-6-16(21(15)26)8-14-10-18(25)23(28)20(12-14)30-4-2/h7-12,27-28H,3-6H2,1-2H3/b15-7+,16-8+