Annotation Hits
N
Screening or library annotations
Compound
2,6,7-Trideoxy-7-C-(2,4-dichlorophenyl)heptonic acid
NSID
NS00075356
SMILES
[Na+].O[C@H](CCC1=C(Cl)C=C(Cl)C=C1)[C@H](O)[C@@H](O)CC([O-])=O
InChI
InChI=1S/C13H16Cl2O5.Na/c14-8-3-1-7(9(15)5-8)2-4-10(16)13(20)11(17)6-12(18)19;/h1,3,5,10-11,13,16-17,20H,2,4,6H2,(H,18,19);/q;+1/p-1/t10-,11+,13+;/m1./s1
InChIKey
WJTBMLZWEDIMFJ-CHZGQIEOSA-M
CAS Number
141267-47-2
2D Structure
RDKit depiction
See compound in other scientific sites:
References
N
Literature / database references
Patents
N
Patent records mentioning this compound
Monoisotopic Mass
N
Placeholder value (update later)
Temporal stripes
Literature stripe
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3D Structure
Interactive 3D view based on an RDKit ETKDG conformer (auto-loaded).