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Reference substances

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IUPAC name:
4-(4-nitrophenyl)sulfanylaniline

Inventory

EC number:
202-957-1
EC name:
4-(p-nitrophenylthio)aniline
CAS number:
101-59-7
CAS number:
101-59-7
Synonyms
Names:
4-(p-nitrophenylthio)aniline
Identifier:
IUPAC name
4-[(4-nitrophenyl)sulfanyl]aniline
Identifier:
other: InChl
InChI=1/C12H10N2O2S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2
Identifier:
other: SMILES notation
Nc1ccc(Sc2ccc(cc2)[N+](=O)[O-])cc1

Molecular and structural information

Molecular formula:
C12H10N2O2S
Molecular weight:
ca. 246.284
SMILES notation:
C1=CC(=CC=C1N)SC2=CC=C(C=C2)[N+](=O)[O-]
InChl:
InChI=1S/C12H10N2O2S/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2
Structural formula:
Chemical structure

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