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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-4-oxidanyl-cyclohexan-1-one Openeye Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-cyclohexanone CAS Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-cyclohexanone IUPAC Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxycyclohexan-1-one Traditional Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-cyclohexanone Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1=O)(C2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C1CC(CCC1=O)(C2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C13H14O4/c14-10-3-5-13(15,6-4-10)9-1-2-11-12(7-9)17-8-16-11/h1-2,7,15H,3-6,8H2