ethyl (3aR,7aS)-2,3-bis(iodanyl)-4-oxidanylidene-5,6,7,7a-tetrahydro-1H-indene-3a-carboxylate

Systemtic Name: ethyl (3aR,7aS)-2,3-bis(iodanyl)-4-oxidanylidene-5,6,7,7a-tetrahydro-1H-indene-3a-carboxylate Openeye Name: ethyl (3aR,7aS)-2,3-diiodo-4-oxo-5,6,7,7a-tetrahydro-1H-indene-3a-carboxylate CAS Name: (3aR,7aS)-2,3-diiodo-4-oxo-5,6,7,7a-tetrahydro-1H-indene-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7aS)-2,3-diiodo-4-oxo-5,6,7,7a-tetrahydro-1H-indene-3a-carboxylate Traditional Name: (3aR,7aS)-2,3-diiodo-4-keto-5,6,7,7a-tetrahydro-1H-indene-3a-carboxylic acid ethyl ester Formula: C12H14I2O3 MolecularWeight: 460.0467

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12C(CCCC1=O)CC(=C2I)I

Isomeric SMILES

CCOC(=O)[C@@]12[C@@H](CCCC1=O)CC(=C2I)I

InChI

InChI=1S/C12H14I2O3/c1-2-17-11(16)12-7(4-3-5-9(12)15)6-8(13)10(12)14/h7H,2-6H2,1H3/t7-,12-/m0/s1