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

Systemtic Name: 4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]heptane-3,5-dione Openeye Name: 4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]heptane-3,5-dione CAS Name: 4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethylhex-3-enyl]heptane-3,5-dione IUPAC Name: 4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethylhex-3-enyl]heptane-3,5-dione Traditional Name: 4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]heptane-3,5-dione Formula: C22H30O4 MolecularWeight: 358.4712

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

CC/C(=C\CCC1=CC2=C(C=C1)OCO2)/CCC(C(=O)CC)C(=O)CC

InChI

InChI=1S/C22H30O4/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/h8,11,13-14,18H,4-7,9-10,12,15H2,1-3H3/b16-8+