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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-4-methoxy-cyclohexan-1-one Openeye Name: 4-(1,3-benzodioxol-5-yl)-4-methoxy-cyclohexanone CAS Name: 4-(1,3-benzodioxol-5-yl)-4-methoxy-1-cyclohexanone IUPAC Name: 4-(1,3-benzodioxol-5-yl)-4-methoxycyclohexan-1-one Traditional Name: 4-(1,3-benzodioxol-5-yl)-4-methoxy-cyclohexanone Formula: C14H16O4 MolecularWeight: 248.27444

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCC(=O)CC1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1(CCC(=O)CC1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H16O4/c1-16-14(6-4-11(15)5-7-14)10-2-3-12-13(8-10)18-9-17-12/h2-3,8H,4-7,9H2,1H3