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

Systemtic Name: 4-[(Z)-6-(1,3-benzodioxol-5-yl)-3-methyl-hex-3-enyl]heptane-3,5-dione Openeye Name: 4-[(Z)-6-(1,3-benzodioxol-5-yl)-3-methyl-hex-3-enyl]heptane-3,5-dione CAS Name: 4-[(Z)-6-(1,3-benzodioxol-5-yl)-3-methylhex-3-enyl]heptane-3,5-dione IUPAC Name: 4-[(Z)-6-(1,3-benzodioxol-5-yl)-3-methylhex-3-enyl]heptane-3,5-dione Traditional Name: 4-[(Z)-6-(1,3-benzodioxol-5-yl)-3-methyl-hex-3-enyl]heptane-3,5-dione Formula: C21H28O4 MolecularWeight: 344.44462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O4/c1-4-18(22)17(19(23)5-2)11-9-15(3)7-6-8-16-10-12-20-21(13-16)25-14-24-20/h7,10,12-13,17H,4-6,8-9,11,14H2,1-3H3/b15-7-