(3aR,7S,7aS)-7-iodanyl-4,4,7a-trimethyl-3a-oxidanyl-3,5,6,7-tetrahydro-1-benzofuran-2-one

Systemtic Name: (3aR,7S,7aS)-7-iodanyl-4,4,7a-trimethyl-3a-oxidanyl-3,5,6,7-tetrahydro-1-benzofuran-2-one Openeye Name: (3aR,7S,7aS)-3a-hydroxy-7-iodo-4,4,7a-trimethyl-3,5,6,7-tetrahydrobenzofuran-2-one CAS Name: (3aR,7S,7aS)-3a-hydroxy-7-iodo-4,4,7a-trimethyl-3,5,6,7-tetrahydrobenzofuran-2-one IUPAC Name: (3aR,7S,7aS)-3a-hydroxy-7-iodo-4,4,7a-trimethyl-3,5,6,7-tetrahydro-1-benzofuran-2-one Traditional Name: (3aR,7S,7aS)-3a-hydroxy-7-iodo-4,4,7a-trimethyl-3,5,6,7-tetrahydrobenzofuran-2-one Formula: C11H17IO3 MolecularWeight: 324.15535

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2(C1(CC(=O)O2)O)C)I)C

Isomeric SMILES

C[C@@]12[C@H](CCC([C@@]1(CC(=O)O2)O)(C)C)I

InChI

InChI=1S/C11H17IO3/c1-9(2)5-4-7(12)10(3)11(9,14)6-8(13)15-10/h7,14H,4-6H2,1-3H3/t7-,10+,11+/m0/s1