1-Thio-beta-D-Glucopyranose 1-[1-sulfo-N-(sulfooxy)-1H-indole-3-ethanimidate]
[CAS# 29702-28-1]

Identification

• Name: 1-Thio-beta-D-Glucopyranose 1-[1-sulfo-N-(sulfooxy)-1H-indole-3-ethanimidate]
• Synonyms: 3-[2-Sulfonatooxyimino-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Sulfanylethyl]Indole-1-Sulfonate; 3-[(2Z)-2-Sulfonatooxyimino-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Sulfanyl-Ethyl]Indole-1-Sulfonate; 3-[2-Sulfonatooxyimino-2-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Sulfanyl-Ethyl]Indole-1-Sulfonate
• Molecular Formula: C₁₆H₁₈N₂O₁₂S₃
• Molecular Weight: 526.50
• CAS Registry Number: 29702-28-1
• SMILES: [C@@H]3(SC(=N/O[S]([O-])(=O)=O)\CC1=C[N]([S]([O-])(=O)=O)C2=C1C=CC=C2)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
• InChI: 1S/C16H20N2O12S3/c19-7-11-13(20)14(21)15(22)16(29-11)31-12(17-30-33(26,27)28)5-8-6-18(32(23,24)25)10-4-2-1-3-9(8)10/h1-4,6,11,13-16,19-22H,5,7H2,(H,23,24,25)(H,26,27,28)/p-2/b17-12-/t11-,13-,14+,15-,16+/m1/s1
• InChIKey: JZFQZINWXSEVSO-URUUWQEUSA-L