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(Q56355085)
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English
EA-2054
chemical compound
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Statements
instance of
type of chemical entity
0 references
nerve agent
0 references
subclass of
chemical compound
0 references
mass
1,119.0332
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₇₃H₈₁B₂N₂O₅P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
[B-](c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4.[B-](c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4.CC(C)OP(=O)(C)Oc5cc([N+](C)(C)C)cc(c5)OCCCOc6cccc(c6)[N+](C)(C)C
0 references
Identifiers
InChI
InChI=1S/C25H41N2O5P.2C24H20B/c1-20(2)31-33(9,28)32-25-18-22(27(6,7)8)17-24(19-25)30-15-11-14-29-23-13-10-12-21(16-23)26(3,4)5;2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h10,12-13,16-20H,11,14-15H2,1-9H3;2*1-20H/q+2;2*-1
1 reference
based on heuristic
inferred from SMILES
InChIKey
JVVQIPCTBBUOET-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from SMILES
PubChem CID
165360151
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JVVQIPCTBBUOET-UHFFFAOYSA-N
DSSTox substance ID
DTXSID101336439
1 reference
matched by identifier from
InChIKey
InChIKey
JVVQIPCTBBUOET-UHFFFAOYSA-N
Google Knowledge Graph ID
/g/11fctqwgbx
0 references
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