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(Q82013643)
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English
octane-3,3,6,6-tetracarboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
290.267
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₈O₈
0 references
canonical SMILES
CCC(CCC(CC)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C12H18O8/c1-3-11(7(13)14,8(15)16)5-6-12(4-2,9(17)18)10(19)20/h3-6H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
0 references
InChIKey
ZOBSQVBNTYBJIM-UHFFFAOYSA-N
0 references
CAS Registry Number
4745-58-8
0 references
PubChem CID
226296
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ZOBSQVBNTYBJIM-UHFFFAOYSA-N
UniChem compound ID
45261850
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30280378
1 reference
matched by identifier from
InChIKey
InChIKey
ZOBSQVBNTYBJIM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80231532
0 references
NSC number
16639
0 references
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