4-[7-(1,3-benzodioxol-5-yloxy)heptyl]heptane-3,5-dione

Systemtic Name: 4-[7-(1,3-benzodioxol-5-yloxy)heptyl]heptane-3,5-dione Openeye Name: 4-[7-(1,3-benzodioxol-5-yloxy)heptyl]heptane-3,5-dione CAS Name: 4-[7-(1,3-benzodioxol-5-yloxy)heptyl]heptane-3,5-dione IUPAC Name: 4-[7-(1,3-benzodioxol-5-yloxy)heptyl]heptane-3,5-dione Traditional Name: 4-[7-(1,3-benzodioxol-5-yloxy)heptyl]heptane-3,5-dione Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCCCCCCOC1=CC2=C(C=C1)OCO2)C(=O)CC

Isomeric SMILES

CCC(=O)C(CCCCCCCOC1=CC2=C(C=C1)OCO2)C(=O)CC

InChI

InChI=1S/C21H30O5/c1-3-18(22)17(19(23)4-2)10-8-6-5-7-9-13-24-16-11-12-20-21(14-16)26-15-25-20/h11-12,14,17H,3-10,13,15H2,1-2H3