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English
(3S)-1-[(S)-Benzenesulfinyl]-2-[(propan-2-yl)sulfanyl]hexan-3-ol
group of stereoisomers with the chemical formula C₁₅H₂₄O₂S₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
300.121772008
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₄O₂S₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCC(O)C(CS(=O)c1ccccc1)SC(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC[C@H](O)C(C[S@](=O)c1ccccc1)SC(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H24O2S2/c1-4-8-14(16)15(18-12(2)3)11-19(17)13-9-6-5-7-10-13/h5-7,9-10,12,14-16H,4,8,11H2,1-3H3/t14-,15?,19-/m0/s1
0 references
InChIKey
LDGAJFZIPFLLTH-OCGXIWQUSA-N
0 references
CAS Registry Number
649748-84-5
0 references
PubChem CID
71377657
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
LDGAJFZIPFLLTH-OCGXIWQUSA-N
UniChem compound ID
48560310
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10800290
1 reference
matched by identifier from
InChIKey
InChIKey
LDGAJFZIPFLLTH-OCGXIWQUSA-N
DSSTOX compound identifier
DTXCID30751033
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