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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-1-[2,6-bis(oxidanyl)phenyl]-3-oxidanyl-nonan-1-one Openeye Name: 9-(1,3-benzodioxol-5-yl)-1-(2,6-dihydroxyphenyl)-3-hydroxy-nonan-1-one CAS Name: 9-(1,3-benzodioxol-5-yl)-1-(2,6-dihydroxyphenyl)-3-hydroxy-1-nonanone IUPAC Name: 9-(1,3-benzodioxol-5-yl)-1-(2,6-dihydroxyphenyl)-3-hydroxynonan-1-one Traditional Name: 9-(1,3-benzodioxol-5-yl)-1-(2,6-dihydroxyphenyl)-3-hydroxy-nonan-1-one Formula: C22H26O6 MolecularWeight: 386.43824

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCCCCCC(CC(=O)C3=C(C=CC=C3O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCCCCCC(CC(=O)C3=C(C=CC=C3O)O)O

InChI

InChI=1S/C22H26O6/c23-16(13-19(26)22-17(24)8-5-9-18(22)25)7-4-2-1-3-6-15-10-11-20-21(12-15)28-14-27-20/h5,8-12,16,23-25H,1-4,6-7,13-14H2