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Reference substances

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IUPAC name:
4-methylbenzene-1-sulfonic acid

Inventory

EC number:
203-180-0
EC name:
Toluene-4-sulphonic acid
CAS number:
104-15-4
CAS number:
104-15-4
Synonyms
Names:
PARA-TOLUENESULPHONIC ACID
Identifier:
IUPAC name
4-methylbenzenesulfonic acid
Identifier:
other: InChl
1/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
Identifier:
other: Molecular formula
C6H8O3S
Identifier:
other: InChl
InChI=1/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
Identifier:
other: SMILES notation
O=S(=O)(O)c1ccc(cc1)C

Molecular and structural information

Molecular formula:
C7H8O3S
Molecular weight:
172.2
SMILES notation:
Cc1ccc(cc1)S(=O)(=O)O
InChl:
JOXIMZWYDAKGHI-UHFFFAOYSA-N
Structural formula:
Chemical structure

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