4-[8-(1,3-benzodioxol-5-yloxy)octyl]heptane-3,5-dione

Systemtic Name: 4-[8-(1,3-benzodioxol-5-yloxy)octyl]heptane-3,5-dione Openeye Name: 4-[8-(1,3-benzodioxol-5-yloxy)octyl]heptane-3,5-dione CAS Name: 4-[8-(1,3-benzodioxol-5-yloxy)octyl]heptane-3,5-dione IUPAC Name: 4-[8-(1,3-benzodioxol-5-yloxy)octyl]heptane-3,5-dione Traditional Name: 4-[8-(1,3-benzodioxol-5-yloxy)octyl]heptane-3,5-dione Formula: C22H32O5 MolecularWeight: 376.48648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCCCCCCCOC1=CC2=C(C=C1)OCO2)C(=O)CC

Isomeric SMILES

CCC(=O)C(CCCCCCCCOC1=CC2=C(C=C1)OCO2)C(=O)CC

InChI

InChI=1S/C22H32O5/c1-3-19(23)18(20(24)4-2)11-9-7-5-6-8-10-14-25-17-12-13-21-22(15-17)27-16-26-21/h12-13,15,18H,3-11,14,16H2,1-2H3