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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C\1CC(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/C1=C\C4=CC5=C(C=C4)OCO5

InChI

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