6-[(2S)-2-chloranylpropyl]-4,7-dimethoxy-1,3-benzodioxole-5-carbaldehyde

Systemtic Name: 6-[(2S)-2-chloranylpropyl]-4,7-dimethoxy-1,3-benzodioxole-5-carbaldehyde Openeye Name: 6-[(2S)-2-chloropropyl]-4,7-dimethoxy-1,3-benzodioxole-5-carbaldehyde CAS Name: 6-[(2S)-2-chloropropyl]-4,7-dimethoxy-1,3-benzodioxole-5-carboxaldehyde IUPAC Name: 6-[(2S)-2-chloropropyl]-4,7-dimethoxy-1,3-benzodioxole-5-carbaldehyde Traditional Name: 6-[(2S)-2-chloropropyl]-4,7-dimethoxy-piperonal Formula: C13H15ClO5 MolecularWeight: 286.7082

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(C(=C2C(=C1OC)OCO2)OC)C=O)Cl

Isomeric SMILES

C[C@@H](CC1=C(C(=C2C(=C1OC)OCO2)OC)C=O)Cl

InChI

InChI=1S/C13H15ClO5/c1-7(14)4-8-9(5-15)11(17-3)13-12(10(8)16-2)18-6-19-13/h5,7H,4,6H2,1-3H3/t7-/m0/s1