4-[3,4,4-tris(iodanyl)but-3-enyl]benzenesulfonic acid

Systemtic Name: 4-[3,4,4-tris(iodanyl)but-3-enyl]benzenesulfonic acid Openeye Name: 4-(3,4,4-triiodobut-3-enyl)benzenesulfonic acid CAS Name: 4-(3,4,4-triiodobut-3-enyl)benzenesulfonic acid IUPAC Name: 4-(3,4,4-triiodobut-3-enyl)benzenesulfonic acid Traditional Name: 4-(3,4,4-triiodobut-3-enyl)besylic acid Formula: C10H9I3O3S MolecularWeight: 589.95507

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=C(I)I)I)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC(=C(I)I)I)S(=O)(=O)O

InChI

InChI=1S/C10H9I3O3S/c11-9(10(12)13)6-3-7-1-4-8(5-2-7)17(14,15)16/h1-2,4-5H,3,6H2,(H,14,15,16)