CAS
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Specification
The molecular formula is C6H7NO6S2.
The molecular weight is 253.3 g/mol.
The IUPAC name is 2-aminobenzene-1,4-disulfonic acid.
The InChI is InChI=1S/C6H7NO6S2/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).
The InChIKey is LDCCBULMAFILCT-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1S(=O)(=O)O)N)S(=O)(=O)O.
The CAS number is 98-44-2.
It has 3 hydrogen bond donor counts.
It has 7 hydrogen bond acceptor counts.