6,6-bis(fluoranyl)-4-iodanyl-6-(phenylsulfonyl)hexanoic acid

Systemtic Name: 6,6-bis(fluoranyl)-4-iodanyl-6-(phenylsulfonyl)hexanoic acid Openeye Name: 6-(benzenesulfonyl)-6,6-difluoro-4-iodo-hexanoic acid CAS Name: 6-(benzenesulfonyl)-6,6-difluoro-4-iodohexanoic acid IUPAC Name: 6-(benzenesulfonyl)-6,6-difluoro-4-iodohexanoic acid Traditional Name: 6-besyl-6,6-difluoro-4-iodo-hexanoic acid Formula: C12H13F2IO4S MolecularWeight: 418.195496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(CC(CCC(=O)O)I)(F)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C(CC(CCC(=O)O)I)(F)F

InChI

InChI=1S/C12H13F2IO4S/c13-12(14,8-9(15)6-7-11(16)17)20(18,19)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,16,17)