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

Systemtic Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)hexanal Openeye Name: (2E)-2-(1,3-benzodioxol-5-ylmethylene)hexanal CAS Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)hexanal IUPAC Name: (2E)-2-(1,3-benzodioxol-5-ylmethylidene)hexanal Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-butyl-acrolein Formula: C14H16O3 MolecularWeight: 232.27504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O3/c1-2-3-4-12(9-15)7-11-5-6-13-14(8-11)17-10-16-13/h5-9H,2-4,10H2,1H3/b12-7+