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(Q82075377)
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English
NSC339673
group of stereoisomers with the chemical formula C₁₈H₂₅NO₈S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
415.13008776000004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₅NO₈S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)N3CCSC3CC21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=C[C@H]1[C@H](OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)N3CCS[C@H]3C[C@H]21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H25NO8S/c1-2-8-9-5-12-19(3-4-28-12)16(24)10(9)7-25-17(8)27-18-15(23)14(22)13(21)11(6-20)26-18/h2,7-9,11-15,17-18,20-23H,1,3-6H2/t8-,9+,11?,12+,13?,14?,15?,17+,18?/m1/s1
0 references
InChIKey
RMTHFMSBPWQULL-LTDZNUIOSA-N
0 references
CAS Registry Number
74518-57-3
0 references
PubChem CID
334457
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45076536
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70319095
0 references
DSSTOX compound identifier
DTXCID70270218
0 references
NSC number
339673
0 references
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