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Reference substances

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Reference substance information

IUPAC name:
4-amino-3-methylbenzene-1-sulfonic acid
Synonyms
Names:
4-amino-3-methylbenzenesulfonic_acid
Benzenesulfonic acid, 4-amino-3-methyl-
Identifier:
IUPAC name
3 - methylsulphanilic acid
Identifier:
other: InChl
1S/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)
Identifier:
other: SMILES notation
Cc1cc(ccc1N)S(=O)(=O)O
Identifier:
other: InChl
InChI=1/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)
Identifier:
other: SMILES notation
S(c1cc(c(N)cc1)C)(O)(=O)=O
4-amino-3-methylbenzenesulfonic acid

CAS information

CAS number:
98-33-9

Molecular and structural information

Molecular formula:
C7H9NO3S
Molecular weight:
187.218
SMILES notation:
S(c1cc(c(N)cc1)C)(O)(=O)=O
InChl:
1S/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)
Structural formula:
Chemical structure