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(Q82819959)
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English
(2S)-2,3-Bis[(12-methyltetradecyl)oxy]propan-1-ol
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
512.516846036
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₃H₆₈O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(C)CCCCCCCCCCCOCC(CO)OCCCCCCCCCCCC(C)CC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC(C)CCCCCCCCCCCOC[C@H](CO)OCCCCCCCCCCCC(C)CC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C33H68O3/c1-5-31(3)25-21-17-13-9-7-11-15-19-23-27-35-30-33(29-34)36-28-24-20-16-12-8-10-14-18-22-26-32(4)6-2/h31-34H,5-30H2,1-4H3/t31?,32?,33-/m0/s1
0 references
InChIKey
FHKTYFJBMRBCII-PJUZOBRJSA-N
0 references
CAS Registry Number
866417-39-2
0 references
PubChem CID
71413786
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
47075132
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00833294
0 references
DSSTOX compound identifier
DTXCID60784036
0 references
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