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English
Acetic acid--(2S,3S)-3,7-dimethylpentadecan-2-ol (1/1)
group of stereoisomers with the chemical formula C₁₉H₄₀O₃
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
316.29774513999996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₄₀O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)O.CCCCCCCCC(C)CCCC(C)C(C)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)O.CCCCCCCCC(C)CCC[C@H](C)[C@H](C)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H36O.C2H4O2/c1-5-6-7-8-9-10-12-15(2)13-11-14-16(3)17(4)18;1-2(3)4/h15-18H,5-14H2,1-4H3;1H3,(H,3,4)/t15?,16-,17-;/m0./s1
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InChIKey
FIEGZXCGIOFULN-YSQHTBMVSA-N
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CAS Registry Number
184851-55-6
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PubChem CID
71349221
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62609230
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80775082
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DSSTOX compound identifier
DTXCID80725825
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