methyl (4aS,7S,8aR)-7-iodanyl-4a-methyl-2-oxidanylidene-1,5,6,7,8,8a-hexahydronaphthalene-1-carboxylate

Systemtic Name: methyl (4aS,7S,8aR)-7-iodanyl-4a-methyl-2-oxidanylidene-1,5,6,7,8,8a-hexahydronaphthalene-1-carboxylate Openeye Name: methyl (4aS,7S,8aR)-7-iodo-4a-methyl-2-oxo-1,5,6,7,8,8a-hexahydronaphthalene-1-carboxylate CAS Name: (4aS,7S,8aR)-7-iodo-4a-methyl-2-oxo-1,5,6,7,8,8a-hexahydronaphthalene-1-carboxylic acid methyl ester IUPAC Name: methyl (4aS,7S,8aR)-7-iodo-4a-methyl-2-oxo-1,5,6,7,8,8a-hexahydronaphthalene-1-carboxylate Traditional Name: (4aS,7S,8aR)-7-iodo-2-keto-4a-methyl-1,5,6,7,8,8a-hexahydronaphthalene-1-carboxylic acid methyl ester Formula: C13H17IO3 MolecularWeight: 348.17675

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1C(C(=O)C=C2)C(=O)OC)I

Isomeric SMILES

C[C@@]12CC[C@@H](C[C@@H]1C(C(=O)C=C2)C(=O)OC)I

InChI

InChI=1S/C13H17IO3/c1-13-5-3-8(14)7-9(13)11(12(16)17-2)10(15)4-6-13/h4,6,8-9,11H,3,5,7H2,1-2H3/t8-,9+,11?,13-/m0/s1