1-iodanylprop-1-yne; 7-methyl-3,5-dioxabicyclo[4.2.2]deca-1(8),6,9-trien-4-one

Systemtic Name: 1-iodanylprop-1-yne; 7-methyl-3,5-dioxabicyclo[4.2.2]deca-1(8),6,9-trien-4-one Openeye Name: 1-iodoprop-1-yne; 7-methyl-3,5-dioxabicyclo[4.2.2]deca-1(8),6,9-trien-4-one CAS Name: 1-iodo-1-propyne; 7-methyl-3,5-dioxabicyclo[4.2.2]deca-1(8),6,9-trien-4-one IUPAC Name: 1-iodoprop-1-yne; 7-methyl-3,5-dioxabicyclo[4.2.2]deca-1(8),6,9-trien-4-one Traditional Name: 1-iodoprop-1-yne; 7-methyl-3,5-dioxabicyclo[4.2.2]deca-1(8),6,9-trien-4-one Formula: C12H11IO3 MolecularWeight: 330.11841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CI.CC1=C2C=CC(=C1)COC(=O)O2

Isomeric SMILES

CC#CI.CC1=C2C=CC(=C1)COC(=O)O2

InChI

InChI=1S/C9H8O3.C3H3I/c1-6-4-7-2-3-8(6)12-9(10)11-5-7;1-2-3-4/h2-4H,5H2,1H3;1H3