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

Systemtic Name: (2E,5E)-2,5-bis[(3-iodanyl-5-methoxy-4-phenylmethoxy-phenyl)methylidene]cyclopentan-1-one Openeye Name: (2E,5E)-2,5-bis[(4-benzyloxy-3-iodo-5-methoxy-phenyl)methylene]cyclopentanone CAS Name: (2E,5E)-2,5-bis[(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-1-cyclopentanone IUPAC Name: (2E,5E)-2,5-bis[(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylidene]cyclopentan-1-one Traditional Name: (2E,5E)-2,5-bis(4-benzoxy-3-iodo-5-methoxy-benzylidene)cyclopentanone Formula: C35H30I2O5 MolecularWeight: 784.41864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2CCC(=CC3=CC(=C(C(=C3)I)OCC4=CC=CC=C4)OC)C2=O)I)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C(=C3)I)OCC4=CC=CC=C4)OC)/CC2)I)OCC5=CC=CC=C5

InChI

InChI=1S/C35H30I2O5/c1-39-31-19-25(17-29(36)34(31)41-21-23-9-5-3-6-10-23)15-27-13-14-28(33(27)38)16-26-18-30(37)35(32(20-26)40-2)42-22-24-11-7-4-8-12-24/h3-12,15-20H,13-14,21-22H2,1-2H3/b27-15+,28-16+