9-(1,3-benzodioxol-5-yl)-1-(2-methoxy-6-oxidanyl-phenyl)-3-oxidanyl-nonan-1-one

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-1-(2-methoxy-6-oxidanyl-phenyl)-3-oxidanyl-nonan-1-one Openeye Name: 9-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(2-hydroxy-6-methoxy-phenyl)nonan-1-one CAS Name: 9-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(2-hydroxy-6-methoxyphenyl)-1-nonanone IUPAC Name: 9-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(2-hydroxy-6-methoxyphenyl)nonan-1-one Traditional Name: 9-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(2-hydroxy-6-methoxy-phenyl)nonan-1-one Formula: C23H28O6 MolecularWeight: 400.46482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C(=O)CC(CCCCCCC2=CC3=C(C=C2)OCO3)O)O

Isomeric SMILES

COC1=CC=CC(=C1C(=O)CC(CCCCCCC2=CC3=C(C=C2)OCO3)O)O

InChI

InChI=1S/C23H28O6/c1-27-21-10-6-9-18(25)23(21)19(26)14-17(24)8-5-3-2-4-7-16-11-12-20-22(13-16)29-15-28-20/h6,9-13,17,24-25H,2-5,7-8,14-15H2,1H3