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(Q82020017)
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English
2-chloro-3-(hexadecylamino)naphthalene-1,4-dione
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
431.25910713599995
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₆H₃₈ClNO₂
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canonical SMILES
CCCCCCCCCCCCCCCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl
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Identifiers
InChI
InChI=1S/C26H38ClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-24-23(27)25(29)21-18-15-16-19-22(21)26(24)30/h15-16,18-19,28H,2-14,17,20H2,1H3
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InChIKey
MIOOSJHVLGHSBL-UHFFFAOYSA-N
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CAS Registry Number
22272-21-5
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PubChem CID
236658
1 reference
matched by identifier from
InChIKey
InChIKey
MIOOSJHVLGHSBL-UHFFFAOYSA-N
UniChem compound ID
62092403
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50284858
1 reference
matched by identifier from
InChIKey
InChIKey
MIOOSJHVLGHSBL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00236009
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NSC number
39354
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