glucotropeolin

Molecular Formula: C₁₄H₁₈NO₉S₂^-

InChI: InChI=1/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/p-1/t9-,11-,12+,13-,14+/m1/s1/fC14H18NO9S2/q-1

InChIKey: InChIKey=QQGLQYQXUKHWPX-BNIZPBPCDX
SMILES: OC[C@H]1O[C@@H](SC(Cc2ccccc2)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

CAS number 499-26-3

Names:
    benzylglucosinolate
    C02153
    Glucotropaeolin
    Glucotropeolin
    glucotropeolin
    Glucotropeolin
    glucotropeolin
    (2S,3R,4S,5S,6R)-2-(C-benzyl-N-sulfonatooxy-carbonimidoyl)sulfanyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxane
    499-26-3

Registries:
    PubChem CID 656497
    Beilstein =1671233
    CAS 499-26-3 (from NIST)
    ChEBI 17127
    Kegg C02153
    PubChem ID 5230