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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-3,5,6-trimethyl-pyran-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-3,5,6-trimethyl-pyran-4-one CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-3,5,6-trimethyl-4-pyranone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-3,5,6-trimethylpyran-4-one Traditional Name: 2-homopiperonyl-3,5,6-trimethyl-pyran-4-one Formula: C17H18O4 MolecularWeight: 286.32242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C(C1=O)C)CCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(OC(=C(C1=O)C)CCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C17H18O4/c1-10-12(3)21-14(11(2)17(10)18)6-4-13-5-7-15-16(8-13)20-9-19-15/h5,7-8H,4,6,9H2,1-3H3