4-(1,3-benzodioxol-5-yl)cyclohexan-1-one

Systemtic Name: 4-(1,3-benzodioxol-5-yl)cyclohexan-1-one Openeye Name: 4-(1,3-benzodioxol-5-yl)cyclohexanone CAS Name: 4-(1,3-benzodioxol-5-yl)-1-cyclohexanone IUPAC Name: 4-(1,3-benzodioxol-5-yl)cyclohexan-1-one Traditional Name: 4-(1,3-benzodioxol-5-yl)cyclohexanone Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC(=O)CCC1C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H14O3/c14-11-4-1-9(2-5-11)10-3-6-12-13(7-10)16-8-15-12/h3,6-7,9H,1-2,4-5,8H2