CAS
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Specification
The molecular formula is C6H6NNaO6S2.
The molecular weight is 275.2 g/mol.
The IUPAC name is sodium;2-amino-4-sulfobenzenesulfonate.
The InChI is InChI=1S/C6H7NO6S2.Na/c7-5-3-4(14(8,9)10)1-2-6(5)15(11,12)13;/h1-3H,7H2,(H,8,9,10)(H,11,12,13);/q;+1/p-1.
The Canonical SMILES is C1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)[O-].[Na+].
The CAS number is 24605-36-5.
The EC number is 246-349-4.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 7.
Yes, it is a canonicalized compound.