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(Q82866359)
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English
9,12-Octadecadienoic acid, 12-sulfo-, (9Z)-
group of stereoisomers with the chemical formula C₁₈H₃₂O₅S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
360.1970451239999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₂O₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC=C(C/C=C\CCCCCCCC(=O)O)S(=O)(=O)O
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CCCCCC=C(C/C=C\CCCCCCCC(=O)O)S(=O)(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H32O5S/c1-2-3-4-11-14-17(24(21,22)23)15-12-9-7-5-6-8-10-13-16-18(19)20/h9,12,14H,2-8,10-11,13,15-16H2,1H3,(H,19,20)(H,21,22,23)/b12-9-,17-14?
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InChIKey
BLYFBIUJESJYLP-VOBDGNOHSA-N
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CAS Registry Number
68201-84-3
1 reference
InChIKey
BLYFBIUJESJYLP-VOBDGNOHSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=68201-84-3
PubChem CID
138395784
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
167144896
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50887267
0 references
DSSTOX compound identifier
DTXCID201026572
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