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English
1,4-Anhydro-5-O-octanoylhexitol
group of stereoisomers with the chemical formula C₁₄H₂₆O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
290.172938552
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₆O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCC(=O)OC(CO)C1OCC(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCC(=O)O[C@H](CO)C1OC[C@H](O)[C@H]1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H26O6/c1-2-3-4-5-6-7-12(17)20-11(8-15)14-13(18)10(16)9-19-14/h10-11,13-16,18H,2-9H2,1H3/t10-,11+,13+,14?/m0/s1
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InChIKey
PMRQMYKBMKCWSE-KIPVYSRNSA-N
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CAS Registry Number
60177-36-8
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PubChem CID
3034836
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
49046406
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80975601
0 references
DSSTOX compound identifier
DTXCID101403000
0 references
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