3-(1,3-benzodioxol-5-yl)-1-[2-methoxy-4,6-bis(oxidanyl)phenyl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[2-methoxy-4,6-bis(oxidanyl)phenyl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-6-methoxy-phenyl)propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-6-methoxyphenyl)-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-6-methoxyphenyl)propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-6-methoxy-phenyl)propan-1-one Formula: C17H16O6 MolecularWeight: 316.30534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1C(=O)CCC2=CC3=C(C=C2)OCO3)O)O

Isomeric SMILES

COC1=CC(=CC(=C1C(=O)CCC2=CC3=C(C=C2)OCO3)O)O

InChI

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