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Reference substances

Reference substances

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General information

Inventory

EC number:
202-523-1
EC name:
3-amino-2-hydroxy-5-nitrobenzenesulphonic acid
CAS number:
96-67-3

No inventory information available

Reference substance information

IUPAC name:
3-amino-2-hydroxy-5-nitrobenzene-1-sulfonic acid
Synonyms
Names:
Benzenesulfonic acid, 3-amino-2-hydroxy-5-nitro-
Identifier:
CAS number
96-67-3
Identifier:
IUPAC name
3-amino-2-hydroxy-5-nitrobenzenesulphonic acid
Identifier:
other: InChl
InChI=1S/C6H6N2O6S/c7-4-1-3(8(10)11)2-5(6(4)9)15(12,13)14/h1-2,9H,7H2,(H,12,13,14)
Identifier:
other: SMILES notation
O=S(=O)(O)c1cc([N+]([O-])=O)cc(N)c1O
3-amino-2-hydroxy-5-nitrobenzenesulfonic acid

CAS information

CAS number:
96-67-3

Molecular and structural information

Molecular formula:
C6H6N2O6S
Molecular weight:
234.187
SMILES notation:
Nc1cc(cc(c1O)S(=O)(=O)O)[N+](=O)[O-]
InChl:
InChI=1/C6H6N2O6S/c7-4-1-3(8(10)11)2-5(6(4)9)15(12,13)14/h1-2,9H,7H2,(H,12,13,14)
Structural formula:
Chemical structure