6-ethanoyl-2,4-dioxabicyclo[3.2.2]nona-1(7),5,8-trien-3-one; 1-iodanylprop-1-yne

Systemtic Name: 6-ethanoyl-2,4-dioxabicyclo[3.2.2]nona-1(7),5,8-trien-3-one; 1-iodanylprop-1-yne Openeye Name: 6-acetyl-2,4-dioxabicyclo[3.2.2]nona-1(7),5,8-trien-3-one; 1-iodoprop-1-yne CAS Name: 6-acetyl-2,4-dioxabicyclo[3.2.2]nona-1(7),5,8-trien-3-one; 1-iodo-1-propyne IUPAC Name: 6-acetyl-2,4-dioxabicyclo[3.2.2]nona-1(7),5,8-trien-3-one; 1-iodoprop-1-yne Traditional Name: 6-acetyl-2,4-dioxabicyclo[3.2.2]nona-1(7),5,8-trien-3-one; 1-iodoprop-1-yne Formula: C12H9IO4 MolecularWeight: 344.10193

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Descriptors Computed from Structure

Canonical SMILES:

CC#CI.CC(=O)C1=C2C=CC(=C1)OC(=O)O2

Isomeric SMILES

CC#CI.CC(=O)C1=C2C=CC(=C1)OC(=O)O2

InChI

InChI=1S/C9H6O4.C3H3I/c1-5(10)7-4-6-2-3-8(7)13-9(11)12-6;1-2-3-4/h2-4H,1H3;1H3