6-[6-(hydroxymethyl)-2,3,4-trimethoxy-phenyl]-1,3-benzodioxole-5-carbaldehyde

Systemtic Name: 6-[6-(hydroxymethyl)-2,3,4-trimethoxy-phenyl]-1,3-benzodioxole-5-carbaldehyde Openeye Name: 6-[6-(hydroxymethyl)-2,3,4-trimethoxy-phenyl]-1,3-benzodioxole-5-carbaldehyde CAS Name: 6-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]-1,3-benzodioxole-5-carboxaldehyde IUPAC Name: 6-[6-(hydroxymethyl)-2,3,4-trimethoxyphenyl]-1,3-benzodioxole-5-carbaldehyde Traditional Name: 6-(2,3,4-trimethoxy-6-methylol-phenyl)piperonal Formula: C18H18O7 MolecularWeight: 346.33132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CO)C2=CC3=C(C=C2C=O)OCO3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CO)C2=CC3=C(C=C2C=O)OCO3)OC)OC

InChI

InChI=1S/C18H18O7/c1-21-15-5-11(8-20)16(18(23-3)17(15)22-2)12-6-14-13(24-9-25-14)4-10(12)7-19/h4-7,20H,8-9H2,1-3H3