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

Systemtic Name: 4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]-4-chloranyl-heptane-3,5-dione Openeye Name: 4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]-4-chloro-heptane-3,5-dione CAS Name: 4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethylhex-3-enyl]-4-chloroheptane-3,5-dione IUPAC Name: 4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethylhex-3-enyl]-4-chloroheptane-3,5-dione Traditional Name: 4-[(E)-6-(1,3-benzodioxol-5-yl)-3-ethyl-hex-3-enyl]-4-chloro-heptane-3,5-dione Formula: C22H29ClO4 MolecularWeight: 392.91626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClO4/c1-4-16(12-13-22(23,20(24)5-2)21(25)6-3)8-7-9-17-10-11-18-19(14-17)27-15-26-18/h8,10-11,14H,4-7,9,12-13,15H2,1-3H3/b16-8+