2-(2-chloroethyl)-7,9-bis(iodanyl)-4,4-dimethyl-2,3-dihydro-1,4-benzoxazepin-4-ium-5-one

Systemtic Name: 2-(2-chloroethyl)-7,9-bis(iodanyl)-4,4-dimethyl-2,3-dihydro-1,4-benzoxazepin-4-ium-5-one Openeye Name: 2-(2-chloroethyl)-7,9-diiodo-4,4-dimethyl-2,3-dihydro-1,4-benzoxazepin-4-ium-5-one CAS Name: 2-(2-chloroethyl)-7,9-diiodo-4,4-dimethyl-2,3-dihydro-1,4-benzoxazepin-4-ium-5-one IUPAC Name: 2-(2-chloroethyl)-7,9-diiodo-4,4-dimethyl-2,3-dihydro-1,4-benzoxazepin-4-ium-5-one Traditional Name: 2-(2-chloroethyl)-7,9-diiodo-4,4-dimethyl-2,3-dihydro-1,4-benzoxazepin-4-ium-5-one Formula: C13H15ClI2NO2+ MolecularWeight: 506.52564

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(OC2=C(C=C(C=C2C1=O)I)I)CCCl)C

Isomeric SMILES

C[N+]1(CC(OC2=C(C=C(C=C2C1=O)I)I)CCCl)C

InChI

InChI=1S/C13H15ClI2NO2/c1-17(2)7-9(3-4-14)19-12-10(13(17)18)5-8(15)6-11(12)16/h5-6,9H,3-4,7H2,1-2H3/q+1