(2E)-2-(1,3-benzodioxol-5-ylmethylidene)pentanal

Systemtic Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)pentanal Openeye Name: (2E)-2-(1,3-benzodioxol-5-ylmethylene)pentanal CAS Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)pentanal IUPAC Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)pentanal Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propyl-acrolein Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=CC1=CC2=C(C=C1)OCO2)C=O

Isomeric SMILES

CCC/C(=C\C1=CC2=C(C=C1)OCO2)/C=O

InChI

InChI=1S/C13H14O3/c1-2-3-11(8-14)6-10-4-5-12-13(7-10)16-9-15-12/h4-8H,2-3,9H2,1H3/b11-6+