(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)butanal

Systemtic Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)butanal Openeye Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylene)butanal CAS Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)butanal IUPAC Name: (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)butanal Traditional Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-ethyl-acrolein Formula: C12H12O3 MolecularWeight: 204.22188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC/C(=C/C1=CC2=C(C=C1)OCO2)/C=O

InChI

InChI=1S/C12H12O3/c1-2-9(7-13)5-10-3-4-11-12(6-10)15-8-14-11/h3-7H,2,8H2,1H3/b9-5-