[(2R,3R,4S,5R,6S)-3,5-diacetyloxy-4-carboxyoxy-6-nitrososulfanyl-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6S)-3,5-diacetyloxy-4-carboxyoxy-6-nitrososulfanyl-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6S)-3,5-diacetoxy-4-carboxyoxy-6-nitrososulfanyl-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6S)-3,5-diacetyloxy-4-carboxyoxy-6-(nitrosothio)-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6S)-3,5-diacetyloxy-4-carboxyoxy-6-nitrososulfanyloxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6S)-3,5-diacetoxy-4-carboxyoxy-6-(nitrosothio)tetrahydropyran-2-yl]methyl ester Formula: C13H17NO11S MolecularWeight: 395.33918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)SN=O)OC(=O)C)OC(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)SN=O)OC(=O)C)OC(=O)O)OC(=O)C

InChI

InChI=1S/C13H17NO11S/c1-5(15)21-4-8-9(22-6(2)16)10(25-13(18)19)11(23-7(3)17)12(24-8)26-14-20/h8-12H,4H2,1-3H3,(H,18,19)/t8-,9-,10+,11-,12+/m1/s1