4-[3-(1,3-benzodioxol-5-yloxy)-2-methyl-propyl]heptane-3,5-dione

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yloxy)-2-methyl-propyl]heptane-3,5-dione Openeye Name: 4-[3-(1,3-benzodioxol-5-yloxy)-2-methyl-propyl]heptane-3,5-dione CAS Name: 4-[3-(1,3-benzodioxol-5-yloxy)-2-methylpropyl]heptane-3,5-dione IUPAC Name: 4-[3-(1,3-benzodioxol-5-yloxy)-2-methylpropyl]heptane-3,5-dione Traditional Name: 4-[3-(1,3-benzodioxol-5-yloxy)-2-methyl-propyl]heptane-3,5-dione Formula: C18H24O5 MolecularWeight: 320.38016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC(C)COC1=CC2=C(C=C1)OCO2)C(=O)CC

Isomeric SMILES

CCC(=O)C(CC(C)COC1=CC2=C(C=C1)OCO2)C(=O)CC

InChI

InChI=1S/C18H24O5/c1-4-15(19)14(16(20)5-2)8-12(3)10-21-13-6-7-17-18(9-13)23-11-22-17/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3