4-[6-(1,3-benzodioxol-5-yl)-3-ethyl-hexyl]heptane-3,5-dione

Systemtic Name: 4-[6-(1,3-benzodioxol-5-yl)-3-ethyl-hexyl]heptane-3,5-dione Openeye Name: 4-[6-(1,3-benzodioxol-5-yl)-3-ethyl-hexyl]heptane-3,5-dione CAS Name: 4-[6-(1,3-benzodioxol-5-yl)-3-ethylhexyl]heptane-3,5-dione IUPAC Name: 4-[6-(1,3-benzodioxol-5-yl)-3-ethylhexyl]heptane-3,5-dione Traditional Name: 4-[6-(1,3-benzodioxol-5-yl)-3-ethyl-hexyl]heptane-3,5-dione Formula: C22H32O4 MolecularWeight: 360.48708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCC1=CC2=C(C=C1)OCO2)CCC(C(=O)CC)C(=O)CC

Isomeric SMILES

CCC(CCCC1=CC2=C(C=C1)OCO2)CCC(C(=O)CC)C(=O)CC

InChI

InChI=1S/C22H32O4/c1-4-16(10-12-18(19(23)5-2)20(24)6-3)8-7-9-17-11-13-21-22(14-17)26-15-25-21/h11,13-14,16,18H,4-10,12,15H2,1-3H3