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(Q25323746)
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English
d5SICS
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
291.092914404
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₁₇NO₃S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1ccc2c(=S)n(C3CC(O)C(CO)O3)ccc2c1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cc1ccc2c(c1)ccn(c2=S)[C@H]3C[C@@H]([C@H](O3)CO)O
0 references
Identifiers
InChI
InChI=1S/C15H17NO3S/c1-9-2-3-11-10(6-9)4-5-16(15(11)20)14-7-12(18)13(8-17)19-14/h2-6,12-14,17-18H,7-8H2,1H3/t12-,13+,14+/m0/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
ISOKBQJGUJTDAE-BFHYXJOUSA-N
1 reference
based on heuristic
inferred from SMILES
PubChem CID
102129314
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ISOKBQJGUJTDAE-BFHYXJOUSA-N
DSSTox substance ID
DTXSID701032714
1 reference
matched by identifier from
InChIKey
InChIKey
ISOKBQJGUJTDAE-BFHYXJOUSA-N
Google Knowledge Graph ID
/g/11bwck96q7
0 references
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Wikipedia
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enwiki
D5SICS
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