CAS
90557-35-0 Purity
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90557-35-0 Purity
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Specification
The molecular formula is C9H10N2O6S.
The molecular weight is 274.25 g/mol.
It was created on July 8, 2005.
The IUPAC name is 3-[(2-nitrophenyl)sulfonylamino]propanoic acid.
The InChI is InChI=1S/C9H10N2O6S/c12-9(13)5-6-10-18(16,17)8-4-2-1-3-7(8)11(14)15/h1-4,10H,5-6H2,(H,12,13).
The InChIKey is GITSWRINOGOGRB-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCCC(=O)O.
The CAS number is 90558-39-7.
Yes, it is considered as a canonicalized compound.