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(Q82894804)
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English
2-{[1,3-Dihydroxy-4-(trimethylazaniumyl)butylidene]amino}ethane-1-sulfonate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
268.10929274
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₉H₂₀N₂O₅S
0 references
canonical SMILES
C[N+](C)(C)CC(O)CC(=O)NCCS(=O)(=O)[O-]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[N+](C)(C)C[C@@H](CC(=O)NCCS(=O)(=O)[O-])O
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Identifiers
InChI
InChI=1S/C9H20N2O5S/c1-11(2,3)7-8(12)6-9(13)10-4-5-17(14,15)16/h8,12H,4-7H2,1-3H3,(H-,10,13,14,15,16)/t8-/m1/s1
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InChIKey
XOGRSOSTTBXAGJ-MRVPVSSYSA-N
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CAS Registry Number
115586-21-5
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PubChem CID
195150
1 reference
matched by identifier from
InChIKey
InChIKey
XOGRSOSTTBXAGJ-MRVPVSSYSA-N
UniChem compound ID
63296594
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30921759
1 reference
matched by identifier from
InChIKey
InChIKey
XOGRSOSTTBXAGJ-MRVPVSSYSA-N
DSSTOX compound identifier
DTXCID901350649
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