1,2,3-tris(iodanyl)-4-oct-4-ynoxy-benzene

Systemtic Name: 1,2,3-tris(iodanyl)-4-oct-4-ynoxy-benzene Openeye Name: 1,2,3-triiodo-4-oct-4-ynoxy-benzene CAS Name: 1,2,3-triiodo-4-oct-4-ynoxybenzene IUPAC Name: 1,2,3-triiodo-4-oct-4-ynoxybenzene Traditional Name: 1,2,3-triiodo-4-oct-4-ynoxy-benzene Formula: C14H15I3O MolecularWeight: 579.98171

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCCOC1=C(C(=C(C=C1)I)I)I

Isomeric SMILES

CCCC#CCCCOC1=C(C(=C(C=C1)I)I)I

InChI

InChI=1S/C14H15I3O/c1-2-3-4-5-6-7-10-18-12-9-8-11(15)13(16)14(12)17/h8-9H,2-3,6-7,10H2,1H3