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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-1-[2,6-bis(oxidanyl)phenyl]nonan-1-one Openeye Name: 9-(1,3-benzodioxol-5-yl)-1-(2,6-dihydroxyphenyl)nonan-1-one CAS Name: 9-(1,3-benzodioxol-5-yl)-1-(2,6-dihydroxyphenyl)-1-nonanone IUPAC Name: 9-(1,3-benzodioxol-5-yl)-1-(2,6-dihydroxyphenyl)nonan-1-one Traditional Name: 9-(1,3-benzodioxol-5-yl)-1-(2,6-dihydroxyphenyl)nonan-1-one Formula: C22H26O5 MolecularWeight: 370.43884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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