[(3S,4R,5R)-5-methoxycarbonyl-4-(phenylcarbonyloxy)thiolan-3-yl]azanium

Systemtic Name: [(3S,4R,5R)-5-methoxycarbonyl-4-(phenylcarbonyloxy)thiolan-3-yl]azanium Openeye Name: [(3S,4R,5R)-4-benzoyloxy-5-methoxycarbonyl-tetrahydrothiophen-3-yl]ammonium CAS Name: [(3S,4R,5R)-4-benzoyloxy-5-methoxycarbonyl-3-thiolanyl]ammonium IUPAC Name: [(3S,4R,5R)-4-benzoyloxy-5-methoxycarbonylthiolan-3-yl]azanium Traditional Name: [(3S,4R,5R)-4-benzoyloxy-5-carbomethoxy-tetrahydrothiophen-3-yl]ammonium Formula: C13H16NO4S+ MolecularWeight: 282.33544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(CS1)[NH3+])OC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]1[C@@H]([C@@H](CS1)[NH3+])OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H15NO4S/c1-17-13(16)11-10(9(14)7-19-11)18-12(15)8-5-3-2-4-6-8/h2-6,9-11H,7,14H2,1H3/p+1/t9-,10-,11-/m1/s1