potassium [(E)-[1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-4-methylsulfonyl-butylidene]amino] sulfate

Systemtic Name: potassium [(E)-[1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-4-methylsulfonyl-butylidene]amino] sulfate Openeye Name: potassium [(E)-[4-methylsulfonyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-butylidene]amino] sulfate CAS Name: potassium [(E)-[4-methylsulfonyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]butylidene]amino] sulfate IUPAC Name: potassium [(E)-[4-methylsulfonyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbutylidene]amino] sulfate Traditional Name: potassium [(E)-[4-mesyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]butylidene]amino] sulfate Formula: C11H20KNO11S3 MolecularWeight: 477.5699

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]

Isomeric SMILES

CS(=O)(=O)CCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O.[K+]

InChI

InChI=1S/C11H21NO11S3.K/c1-25(17,18)4-2-3-7(12-23-26(19,20)21)24-11-10(16)9(15)8(14)6(5-13)22-11;/h6,8-11,13-16H,2-5H2,1H3,(H,19,20,21);/q;+1/p-1/b12-7+;/t6-,8-,9+,10-,11+;/m1./s1