2-(1,3-benzodioxol-5-yl)-2-methoxy-cyclohexan-1-one

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-2-methoxy-cyclohexan-1-one Openeye Name: 2-(1,3-benzodioxol-5-yl)-2-methoxy-cyclohexanone CAS Name: 2-(1,3-benzodioxol-5-yl)-2-methoxy-1-cyclohexanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-2-methoxycyclohexan-1-one Traditional Name: 2-(1,3-benzodioxol-5-yl)-2-methoxy-cyclohexanone Formula: C14H16O4 MolecularWeight: 248.27444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1(CCCCC1=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1(CCCCC1=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H16O4/c1-16-14(7-3-2-4-13(14)15)10-5-6-11-12(8-10)18-9-17-11/h5-6,8H,2-4,7,9H2,1H3