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Reference substances

Reference substances

IUPAC name:
2-[[(3-amino-4-hydroxyphenyl)sulphonyl]amino]benzoic acid

Inventory

EC number:
202-063-1
EC name:
2-[[(3-amino-4-hydroxyphenyl)sulphonyl]amino]benzoic acid
CAS number:
91-35-0
CAS number:
91-35-0
Synonyms
Names:
2-[[(3-amino-4-hydroxyphenyl)sulphonyl]amino]benzoic_acid
Benzoic acid, 2-[[(3-amino-4-hydroxyphenyl)sulfonyl]amino]-
Identifier:
IUPAC name
2-{[(3-amino-4-hydroxyphenyl)sulfonyl]amino}benzoic acid
Identifier:
other: Molecular formula
C13H12N2O5S
Identifier:
other: SMILES notation
Nc1cc(ccc1O)S(=O)(=O)Nc2ccccc2C(=O)O
2-(((3-amino-4-hydroxyphenyl)sulfonyl)amino)benzoic acid

Molecular and structural information

Molecular formula:
C13H12N2O5S
Molecular weight:
ca. 308.31
SMILES notation:
O=C(O)C1=CC=CC=C1NS(=O)(C2=CC=C(O)C(N)=C2)=O
InChl:
InChI=1/C13H12N2O5S/c14-10-7-8(5-6-12(10)16)21(19,20)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,14H2,(H,17,18)
Structural formula:
Chemical structure

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