2-(1,3-benzodioxol-5-yl)-2-methyl-oxan-3-one

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-methyl-oxan-3-one Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-methyl-tetrahydropyran-3-one CAS Name: 2-(1,3-benzodioxol-5-yl)-2-methyl-3-oxanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-methyloxan-3-one Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-methyl-tetrahydropyran-3-one Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CCCO1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1(C(=O)CCCO1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H14O4/c1-13(12(14)3-2-6-17-13)9-4-5-10-11(7-9)16-8-15-10/h4-5,7H,2-3,6,8H2,1H3