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

Systemtic Name: [(E)-[1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-5-methylsulfanyl-pentylidene]amino] sulfate Openeye Name: [(E)-[5-methylsulfanyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-pentylidene]amino] sulfate CAS Name: [(E)-[5-(methylthio)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]pentylidene]amino] sulfate IUPAC Name: [(E)-[5-methylsulfanyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpentylidene]amino] sulfate Traditional Name: [(E)-[5-(methylthio)-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]thio]pentylidene]amino] sulfate Formula: C12H22NO9S3- MolecularWeight: 420.49938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

CSCCCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/p-1/b13-8+/t7-,9-,10+,11-,12+/m1/s1