Catalog Number:
AG00H8JG
Chemical Name:
5-Bromo-6-chloro-3-indoxyl-beta-d-glucopyranoside
CAS Number:
93863-89-9
Molecular Formula:
C14H15BrClNO6
Molecular Weight:
408.6290
MDL Number:
MFCD00210022
IUPAC Name:
(2S,3R,4S,5S,6R)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C14H15BrClNO6/c15-6-1-5-8(2-7(6)16)17-3-9(5)22-14-13(21)12(20)11(19)10(4-18)23-14/h1-3,10-14,17-21H,4H2/t10-,11-,12+,13-,14-/m1/s1
InChI Key:
CHRVKCMQIZYLNM-RKQHYHRCSA-N
SMILES:
OC[C@H]1O[C@@H](Oc2c[nH]c3c2cc(Br)c(c3)Cl)[C@@H]([C@H]([C@@H]1O)O)O
