4-[(3,4-dimethoxyphenyl)-oxidanyl-methyl]-1,3-benzodioxole-5-carbaldehyde

Systemtic Name: 4-[(3,4-dimethoxyphenyl)-oxidanyl-methyl]-1,3-benzodioxole-5-carbaldehyde Openeye Name: 4-[(3,4-dimethoxyphenyl)-hydroxy-methyl]-1,3-benzodioxole-5-carbaldehyde CAS Name: 4-[(3,4-dimethoxyphenyl)-hydroxymethyl]-1,3-benzodioxole-5-carboxaldehyde IUPAC Name: 4-[(3,4-dimethoxyphenyl)-hydroxymethyl]-1,3-benzodioxole-5-carbaldehyde Traditional Name: 4-[(3,4-dimethoxyphenyl)-hydroxy-methyl]piperonal Formula: C17H16O6 MolecularWeight: 316.30534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=C(C=CC3=C2OCO3)C=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=C(C=CC3=C2OCO3)C=O)O)OC

InChI

InChI=1S/C17H16O6/c1-20-12-5-3-10(7-14(12)21-2)16(19)15-11(8-18)4-6-13-17(15)23-9-22-13/h3-8,16,19H,9H2,1-2H3