9-(1,3-benzodioxol-4-yl)-1-[2,6-bis(oxidanyl)phenyl]nonan-1-one

Systemtic Name: 9-(1,3-benzodioxol-4-yl)-1-[2,6-bis(oxidanyl)phenyl]nonan-1-one Openeye Name: 9-(1,3-benzodioxol-4-yl)-1-(2,6-dihydroxyphenyl)nonan-1-one CAS Name: 9-(1,3-benzodioxol-4-yl)-1-(2,6-dihydroxyphenyl)-1-nonanone IUPAC Name: 9-(1,3-benzodioxol-4-yl)-1-(2,6-dihydroxyphenyl)nonan-1-one Traditional Name: 9-(1,3-benzodioxol-4-yl)-1-(2,6-dihydroxyphenyl)nonan-1-one Formula: C22H26O5 MolecularWeight: 370.43884

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)CCCCCCCCC(=O)C3=C(C=CC=C3O)O

Isomeric SMILES

C1OC2=CC=CC(=C2O1)CCCCCCCCC(=O)C3=C(C=CC=C3O)O

InChI

InChI=1S/C22H26O5/c23-17(21-18(24)12-8-13-19(21)25)11-6-4-2-1-3-5-9-16-10-7-14-20-22(16)27-15-26-20/h7-8,10,12-14,24-25H,1-6,9,11,15H2