6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butoxy-pyran-2-one

Systemtic Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butoxy-pyran-2-one Openeye Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butoxy-pyran-2-one CAS Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butoxy-2-pyranone IUPAC Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-butoxypyran-2-one Traditional Name: 4-butoxy-6-homopiperonyl-pyran-2-one Formula: C18H20O5 MolecularWeight: 316.3484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=O)OC(=C1)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCOC1=CC(=O)OC(=C1)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20O5/c1-2-3-8-20-15-10-14(23-18(19)11-15)6-4-13-5-7-16-17(9-13)22-12-21-16/h5,7,9-11H,2-4,6,8,12H2,1H3