5-methyl-1,4-benzodioxin-2-one; 1,1,2-tris(iodanyl)prop-1-ene

Systemtic Name: 5-methyl-1,4-benzodioxin-2-one; 1,1,2-tris(iodanyl)prop-1-ene Openeye Name: 5-methyl-1,4-benzodioxin-2-one; 1,1,2-triiodoprop-1-ene CAS Name: 5-methyl-1,4-benzodioxin-2-one; 1,1,2-triiodo-1-propene IUPAC Name: 5-methyl-1,4-benzodioxin-2-one; 1,1,2-triiodoprop-1-ene Traditional Name: 5-methyl-1,4-benzodioxin-2-one; 1,1,2-triiodoprop-1-ene Formula: C12H11I3O3 MolecularWeight: 583.92735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=O)CO2.CC(=C(I)I)I

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=O)CO2.CC(=C(I)I)I

InChI

InChI=1S/C9H8O3.C3H3I3/c1-6-3-2-4-7-9(6)11-5-8(10)12-7;1-2(4)3(5)6/h2-4H,5H2,1H3;1H3