4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]-4-propan-2-yl-heptane-3,5-dione

Systemtic Name: 4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]-4-propan-2-yl-heptane-3,5-dione Openeye Name: 4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]-4-isopropyl-heptane-3,5-dione CAS Name: 4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethylhex-3-enyl]-4-propan-2-ylheptane-3,5-dione IUPAC Name: 4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethylhex-3-enyl]-4-propan-2-ylheptane-3,5-dione Traditional Name: 4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]-4-isopropyl-heptane-3,5-dione Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36O4/c1-6-19(10-9-11-20-12-13-21-22(16-20)29-17-28-21)14-15-25(18(4)5,23(26)7-2)24(27)8-3/h10,12-13,16,18H,6-9,11,14-15,17H2,1-5H3/b19-10+