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Reference substances

Reference substances

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General information

Inventory

EC number:
202-638-7
EC name:
Benzenesulphonic acid
CAS number:
98-11-3

No inventory information available

Reference substance information

IUPAC name:
benzenesulfonic acid
Synonyms
Names:
Identifier:
CAS number
98-11-3
Identifier:
IUPAC name
Benzenesulfonic acid
Identifier:
IUPAC name
Benzenesulphonic acid
Identifier:
common name
Benzenesulfonic acid
Identifier:
other: InChl
1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
Identifier:
other: SMILES notation
C1=CC=C(C=C1)S(=O)(=O)O
Identifier:
other: InChl
InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
Identifier:
other: SMILES notation
c1(ccccc1)S(O)(=O)=O
benzenesulfonic acid

CAS information

CAS number:
98-11-3

Molecular and structural information

Molecular formula:
C6H6O3S
Molecular weight:
158.175
SMILES notation:
OS(=O)(=O)c1ccccc1
InChl:
InChI=1/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
Structural formula:
Chemical structure