(E)-3-(2,2-dimethyl-1,3-benzodioxol-5-yl)prop-2-enal

Systemtic Name: (E)-3-(2,2-dimethyl-1,3-benzodioxol-5-yl)prop-2-enal Openeye Name: (E)-3-(2,2-dimethyl-1,3-benzodioxol-5-yl)prop-2-enal CAS Name: (E)-3-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-propenal IUPAC Name: (E)-3-(2,2-dimethyl-1,3-benzodioxol-5-yl)prop-2-enal Traditional Name: (E)-3-(2,2-dimethyl-1,3-benzodioxol-5-yl)acrolein Formula: C12H12O3 MolecularWeight: 204.22188

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(O1)C=C(C=C2)C=CC=O)C

Isomeric SMILES

CC1(OC2=C(O1)C=C(C=C2)/C=C/C=O)C

InChI

InChI=1S/C12H12O3/c1-12(2)14-10-6-5-9(4-3-7-13)8-11(10)15-12/h3-8H,1-2H3/b4-3+