2-(1,3-benzodioxol-5-ylmethyl)-2-oxidanyl-cyclohexan-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-2-oxidanyl-cyclohexan-1-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-cyclohexanone CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-1-cyclohexanone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-2-hydroxycyclohexan-1-one Traditional Name: 2-hydroxy-2-piperonyl-cyclohexanone Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C1)(CC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C1CCC(C(=O)C1)(CC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C14H16O4/c15-13-3-1-2-6-14(13,16)8-10-4-5-11-12(7-10)18-9-17-11/h4-5,7,16H,1-3,6,8-9H2