2-(1,3-benzodioxol-5-ylmethylidene)heptanal

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylidene)heptanal Openeye Name: 2-(1,3-benzodioxol-5-ylmethylene)heptanal CAS Name: 2-(1,3-benzodioxol-5-ylmethylidene)heptanal IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylidene)heptanal Traditional Name: 2-amyl-3-(1,3-benzodioxol-5-yl)acrolein Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O3/c1-2-3-4-5-13(10-16)8-12-6-7-14-15(9-12)18-11-17-14/h6-10H,2-5,11H2,1H3