2-[(2S,3S)-3-iodanyl-5,5-bis(methoxycarbonyl)thiolan-2-yl]ethanoic acid

Systemtic Name: 2-[(2S,3S)-3-iodanyl-5,5-bis(methoxycarbonyl)thiolan-2-yl]ethanoic acid Openeye Name: 2-[(2S,3S)-3-iodo-5,5-bis(methoxycarbonyl)tetrahydrothiophen-2-yl]acetic acid CAS Name: 2-[(2S,3S)-3-iodo-5,5-bis(methoxycarbonyl)-2-thiolanyl]acetic acid IUPAC Name: 2-[(2S,3S)-3-iodo-5,5-bis(methoxycarbonyl)thiolan-2-yl]acetic acid Traditional Name: 2-[(2S,3S)-5,5-dicarbomethoxy-3-iodo-tetrahydrothiophen-2-yl]acetic acid Formula: C10H13IO6S MolecularWeight: 388.17609

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(S1)CC(=O)O)I)C(=O)OC

Isomeric SMILES

COC(=O)C1(C[C@@H]([C@@H](S1)CC(=O)O)I)C(=O)OC

InChI

InChI=1S/C10H13IO6S/c1-16-8(14)10(9(15)17-2)4-5(11)6(18-10)3-7(12)13/h5-6H,3-4H2,1-2H3,(H,12,13)/t5-,6-/m0/s1