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

Systemtic Name: 3-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]hexane-2,4-dione Openeye Name: 3-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]hexane-2,4-dione CAS Name: 3-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethylhex-3-enyl]hexane-2,4-dione IUPAC Name: 3-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethylhex-3-enyl]hexane-2,4-dione Traditional Name: 3-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]hexane-2,4-dione Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O4/c1-4-16(9-11-18(15(3)22)19(23)5-2)7-6-8-17-10-12-20-21(13-17)25-14-24-20/h7,10,12-13,18H,4-6,8-9,11,14H2,1-3H3/b16-7+