1,3-bis(2,2-dimethyl-1,3-benzodioxol-5-yl)propan-2-one

Systemtic Name: 1,3-bis(2,2-dimethyl-1,3-benzodioxol-5-yl)propan-2-one Openeye Name: 1,3-bis(2,2-dimethyl-1,3-benzodioxol-5-yl)propan-2-one CAS Name: 1,3-bis(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-propanone IUPAC Name: 1,3-bis(2,2-dimethyl-1,3-benzodioxol-5-yl)propan-2-one Traditional Name: 1,3-bis(2,2-dimethyl-1,3-benzodioxol-5-yl)acetone Formula: C21H22O5 MolecularWeight: 354.39638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(O1)C=C(C=C2)CC(=O)CC3=CC4=C(C=C3)OC(O4)(C)C)C

Isomeric SMILES

CC1(OC2=C(O1)C=C(C=C2)CC(=O)CC3=CC4=C(C=C3)OC(O4)(C)C)C

InChI

InChI=1S/C21H22O5/c1-20(2)23-16-7-5-13(11-18(16)25-20)9-15(22)10-14-6-8-17-19(12-14)26-21(3,4)24-17/h5-8,11-12H,9-10H2,1-4H3