(3aS,7S,7aS)-7-iodanyl-5-(phenylsulfonyl)-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2-one

Systemtic Name: (3aS,7S,7aS)-7-iodanyl-5-(phenylsulfonyl)-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2-one Openeye Name: (3aS,7S,7aS)-5-(benzenesulfonyl)-7-iodo-3a,4,7,7a-tetrahydro-3H-benzofuran-2-one CAS Name: (3aS,7S,7aS)-5-(benzenesulfonyl)-7-iodo-3a,4,7,7a-tetrahydro-3H-benzofuran-2-one IUPAC Name: (3aS,7S,7aS)-5-(benzenesulfonyl)-7-iodo-3a,4,7,7a-tetrahydro-3H-1-benzofuran-2-one Traditional Name: (3aS,7S,7aS)-5-besyl-7-iodo-3a,4,7,7a-tetrahydro-3H-benzofuran-2-one Formula: C14H13IO4S MolecularWeight: 404.22009

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=O)OC2C(C=C1S(=O)(=O)C3=CC=CC=C3)I

Isomeric SMILES

C1[C@@H]2CC(=O)O[C@@H]2[C@H](C=C1S(=O)(=O)C3=CC=CC=C3)I

InChI

InChI=1S/C14H13IO4S/c15-12-8-11(6-9-7-13(16)19-14(9)12)20(17,18)10-4-2-1-3-5-10/h1-5,8-9,12,14H,6-7H2/t9-,12+,14+/m1/s1