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English
PUBCHEM_24202618
group of stereoisomers with the chemical formula C₂₂H₃₁NO₅S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
421.192294092
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₁NO₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1CCCC=CC2CC(O)CC2C(O)C(S(=O)c2cccc(N)c2)CC(=O)O1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@H](O)[C@H](S(=O)c2cccc(N)c2)CC(=O)O1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H31NO5S/c1-14-6-3-2-4-7-15-10-17(24)12-19(15)22(26)20(13-21(25)28-14)29(27)18-9-5-8-16(23)11-18/h4-5,7-9,11,14-15,17,19-20,22,24,26H,2-3,6,10,12-13,23H2,1H3/b7-4+/t14-,15+,17-,19+,20+,22-,29?/m0/s1
0 references
InChIKey
SNQFDHZTBOVQLH-NUGSJCHZSA-N
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CAS Registry Number
376648-13-4
0 references
PubChem CID
24202618
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
338763
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80639796
0 references
DSSTOX compound identifier
DTXCID50590547
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NSC number
713771
0 references
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