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3-({[4-(4-Nitrophenoxy)phenyl]carbamothioyl}sulfanyl)propanoic acid

HCID 21392843
NotesReactions

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Basic informationNames & identifiersRelated reactionsCompound notes
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Basic information

CAS
62939-03-1
Standard SMILES
O=C(O)CCSC(=S)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1
InChIKey
WRUISOBDTFCMQI-UHFFFAOYSA-N
Molecular formula
C16H14N2O5S2
Average molar mass
378.431 g/mol
Monoisotopic mass
378.03441355

Names & identifiers

Preferred name
3-({[4-(4-Nitrophenoxy)phenyl]carbamothioyl}sulfanyl)propanoic acid
IUPAC
3-({[4-(4-Nitrophenoxy)phenyl]carbamothioyl}sulfanyl)propanoic acid

Database identifiers

CAS
62939-03-1
PubChem CID
21392843
DTXSID
DTXSID60612906

Related reactions

2 records
New reaction record
HRID 461867 reaction equation
HRID 461867As productuspto-grants-1977_12
HRID 1574289 reaction equation
HRID 1574289As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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