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

Systemtic Name: 4-[(Z)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]-4-butyl-heptane-3,5-dione Openeye Name: 4-[(Z)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]-4-butyl-heptane-3,5-dione CAS Name: 4-[(Z)-6-(1,3-benzodioxol-5-yl)-3-ethylhex-3-enyl]-4-butylheptane-3,5-dione IUPAC Name: 4-[(Z)-6-(1,3-benzodioxol-5-yl)-3-ethylhex-3-enyl]-4-butylheptane-3,5-dione Traditional Name: 4-[(Z)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]-4-butyl-heptane-3,5-dione Formula: C26H38O4 MolecularWeight: 414.57752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38O4/c1-5-9-16-26(24(27)7-3,25(28)8-4)17-15-20(6-2)11-10-12-21-13-14-22-23(18-21)30-19-29-22/h11,13-14,18H,5-10,12,15-17,19H2,1-4H3/b20-11-