(3aS,7S,7aS)-7-iodanyl-3a-phenyl-3,6,7,7a-tetrahydro-1-benzofuran-2-one

Systemtic Name: (3aS,7S,7aS)-7-iodanyl-3a-phenyl-3,6,7,7a-tetrahydro-1-benzofuran-2-one Openeye Name: (3aS,7S,7aS)-7-iodo-3a-phenyl-3,6,7,7a-tetrahydrobenzofuran-2-one CAS Name: (3aS,7S,7aS)-7-iodo-3a-phenyl-3,6,7,7a-tetrahydrobenzofuran-2-one IUPAC Name: (3aS,7S,7aS)-7-iodo-3a-phenyl-3,6,7,7a-tetrahydro-1-benzofuran-2-one Traditional Name: (3aS,7S,7aS)-7-iodo-3a-phenyl-3,6,7,7a-tetrahydrobenzofuran-2-one Formula: C14H13IO2 MolecularWeight: 340.15629

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2(CC(=O)OC2C1I)C3=CC=CC=C3

Isomeric SMILES

C1C=C[C@@]2(CC(=O)O[C@@H]2[C@H]1I)C3=CC=CC=C3

InChI

InChI=1S/C14H13IO2/c15-11-7-4-8-14(9-12(16)17-13(11)14)10-5-2-1-3-6-10/h1-6,8,11,13H,7,9H2/t11-,13+,14+/m0/s1