2-(butoxycarbonylamino)-2-[(3S,5R)-5-(iodanylmethyl)-2-oxidanylidene-oxolan-3-yl]ethanoic acid

Systemtic Name: 2-(butoxycarbonylamino)-2-[(3S,5R)-5-(iodanylmethyl)-2-oxidanylidene-oxolan-3-yl]ethanoic acid Openeye Name: 2-(butoxycarbonylamino)-2-[(3S,5R)-5-(iodomethyl)-2-oxo-tetrahydrofuran-3-yl]acetic acid CAS Name: 2-[[butoxy(oxo)methyl]amino]-2-[(3S,5R)-5-(iodomethyl)-2-oxo-3-oxolanyl]acetic acid IUPAC Name: 2-(butoxycarbonylamino)-2-[(3S,5R)-5-(iodomethyl)-2-oxooxolan-3-yl]acetic acid Traditional Name: 2-(butoxycarbonylamino)-2-[(3S,5R)-5-(iodomethyl)-2-keto-tetrahydrofuran-3-yl]acetic acid Formula: C12H18INO6 MolecularWeight: 399.17889

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(C1CC(OC1=O)CI)C(=O)O

Isomeric SMILES

CCCCOC(=O)NC([C@@H]1C[C@@H](OC1=O)CI)C(=O)O

InChI

InChI=1S/C12H18INO6/c1-2-3-4-19-12(18)14-9(10(15)16)8-5-7(6-13)20-11(8)17/h7-9H,2-6H2,1H3,(H,14,18)(H,15,16)/t7-,8+,9?/m1/s1