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The molecular formula is C13H12N2O6S.
The molecular weight is 324.31 g/mol.
The IUPAC name is (4-nitrophenyl) 3-amino-4-methoxybenzenesulfonate.
The InChI is InChI=1S/C13H12N2O6S/c1-20-13-7-6-11(8-12(13)14)22(18,19)21-10-4-2-9(3-5-10)15(16)17/h2-8H,14H2,1H3.
The InChIKey is MKBHZWMFTFVMOV-UHFFFAOYSA-N.
The canonical SMILES is COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N.
The CAS number is 94232-04-9.
It has 1 hydrogen bond donor count.
It has 7 hydrogen bond acceptor counts.
The topological polar surface area is 133.2.
94232-01-6
94232-02-7
94232-03-8
94232-07-2
94232-09-4
94232-11-8
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