(3aR,7aS)-4-iodanyl-5-methyl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one

Systemtic Name: (3aR,7aS)-4-iodanyl-5-methyl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one Openeye Name: (3aR,7aS)-4-iodo-5-methyl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one CAS Name: (3aR,7aS)-4-iodo-5-methyl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one IUPAC Name: (3aR,7aS)-4-iodo-5-methyl-3a,6,7,7a-tetrahydro-3H-2-benzofuran-1-one Traditional Name: (3aR,7aS)-4-iodo-5-methyl-3a,6,7,7a-tetrahydro-3H-isobenzofuran-1-one Formula: C9H11IO2 MolecularWeight: 278.08691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2COC(=O)C2CC1)I

Isomeric SMILES

CC1=C([C@H]2COC(=O)[C@H]2CC1)I

InChI

InChI=1S/C9H11IO2/c1-5-2-3-6-7(8(5)10)4-12-9(6)11/h6-7H,2-4H2,1H3/t6-,7-/m0/s1