(3S,4R)-4-(methylsulfanylmethyl)-3-[(2-nitrophenyl)methyl]-3-oxidanyl-oxolan-2-one

Systemtic Name: (3S,4R)-4-(methylsulfanylmethyl)-3-[(2-nitrophenyl)methyl]-3-oxidanyl-oxolan-2-one Openeye Name: (3S,4R)-3-hydroxy-4-(methylsulfanylmethyl)-3-[(2-nitrophenyl)methyl]tetrahydrofuran-2-one CAS Name: (3S,4R)-3-hydroxy-4-[(methylthio)methyl]-3-[(2-nitrophenyl)methyl]-2-oxolanone IUPAC Name: (3S,4R)-3-hydroxy-4-(methylsulfanylmethyl)-3-[(2-nitrophenyl)methyl]oxolan-2-one Traditional Name: (3S,4R)-3-hydroxy-4-[(methylthio)methyl]-3-(2-nitrobenzyl)tetrahydrofuran-2-one Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1COC(=O)C1(CC2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

CSC[C@@H]1COC(=O)[C@@]1(CC2=CC=CC=C2[N+](=O)[O-])O

InChI

InChI=1S/C13H15NO5S/c1-20-8-10-7-19-12(15)13(10,16)6-9-4-2-3-5-11(9)14(17)18/h2-5,10,16H,6-8H2,1H3/t10-,13-/m0/s1