(4S,5R)-5-(2,4-dimethoxyphenyl)-4-nitro-thiolan-3-ol

Systemtic Name: (4S,5R)-5-(2,4-dimethoxyphenyl)-4-nitro-thiolan-3-ol Openeye Name: (4S,5R)-5-(2,4-dimethoxyphenyl)-4-nitro-tetrahydrothiophen-3-ol CAS Name: (4S,5R)-5-(2,4-dimethoxyphenyl)-4-nitro-3-thiolanol IUPAC Name: (4S,5R)-5-(2,4-dimethoxyphenyl)-4-nitrothiolan-3-ol Traditional Name: (4S,5R)-5-(2,4-dimethoxyphenyl)-4-nitro-tetrahydrothiophen-3-ol Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2C(C(CS2)O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@@H]2[C@H](C(CS2)O)[N+](=O)[O-])OC

InChI

InChI=1S/C12H15NO5S/c1-17-7-3-4-8(10(5-7)18-2)12-11(13(15)16)9(14)6-19-12/h3-5,9,11-12,14H,6H2,1-2H3/t9?,11-,12+/m0/s1