(2E,5E)-2,5-bis(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one

Systemtic Name: (2E,5E)-2,5-bis(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one Openeye Name: (2E,5E)-2,5-bis(1,3-benzodioxol-5-ylmethylene)cyclopentanone CAS Name: (2E,5E)-2,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-cyclopentanone IUPAC Name: (2E,5E)-2,5-bis(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-one Traditional Name: (2E,5E)-2,5-dipiperonylidenecyclopentanone Formula: C21H16O5 MolecularWeight: 348.34874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC3=C(C=C2)OCO3)C(=O)C1=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1/C(=C\C2=CC3=C(OCO3)C=C2)/C(=O)/C(=C/C4=CC5=C(OCO5)C=C4)/C1

InChI

InChI=1S/C21H16O5/c22-21-15(7-13-1-5-17-19(9-13)25-11-23-17)3-4-16(21)8-14-2-6-18-20(10-14)26-12-24-18/h1-2,5-10H,3-4,11-12H2/b15-7+,16-8+