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

Systemtic Name: potassium [(Z)-[(E)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-5-methylsulfonyl-pent-4-enylidene]amino] sulfate Openeye Name: potassium [(Z)-[(E)-5-methylsulfonyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-pent-4-enylidene]amino] sulfate CAS Name: potassium [(Z)-[(E)-5-methylsulfonyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]pent-4-enylidene]amino] sulfate IUPAC Name: potassium [(Z)-[(E)-5-methylsulfonyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpent-4-enylidene]amino] sulfate Traditional Name: potassium [(Z)-[(E)-5-mesyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]pent-4-enylidene]amino] sulfate Formula: C12H20KNO11S3 MolecularWeight: 489.5806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CS(=O)(=O)/C=C/CC/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/C12H21NO11S3.K/c1-26(18,19)5-3-2-4-8(13-24-27(20,21)22)25-12-11(17)10(16)9(15)7(6-14)23-12;/h3,5,7,9-12,14-17H,2,4,6H2,1H3,(H,20,21,22);/q;+1/p-1/b5-3+,13-8-;/t7-,9-,10+,11-,12+;/m1./s1