7-methoxy-5-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-1,3-benzodioxol-4-ol

Systemtic Name: 7-methoxy-5-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-1,3-benzodioxol-4-ol Openeye Name: 5-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]-7-methoxy-1,3-benzodioxol-4-ol CAS Name: 5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-7-methoxy-1,3-benzodioxol-4-ol IUPAC Name: 5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-7-methoxy-1,3-benzodioxol-4-ol Traditional Name: 5-homovanillyl-7-methoxy-1,3-benzodioxol-4-ol Formula: C17H18O6 MolecularWeight: 318.32122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC2=CC(=C3C(=C2O)OCO3)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCC2=CC(=C3C(=C2O)OCO3)OC)O

InChI

InChI=1S/C17H18O6/c1-20-13-7-10(4-6-12(13)18)3-5-11-8-14(21-2)16-17(15(11)19)23-9-22-16/h4,6-8,18-19H,3,5,9H2,1-2H3