17576-35-1 Purity
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Specification
The molecular formula of NSC42165 is C12H11N3O6S2.
The molecular weight of NSC42165 is 357.4 g/mol.
The IUPAC name of NSC42165 is 4-[2-(4-sulfophenyl)iminohydrazinyl]benzenesulfonic acid.
The InChI of NSC42165 is InChI=1S/C12H11N3O6S2/c16-22(17,18)11-5-1-9(2-6-11)13-15-14-10-3-7-12(8-4-10)23(19,20)21/h1-8H,(H,13,14)(H,16,17,18)(H,19,20,21).
The InChIKey of NSC42165 is AJMWXYSMAMYAIT-UHFFFAOYSA-N.
The canonical SMILES of NSC42165 is C1=CC(=CC=C1NN=NC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O.
The CAS number of NSC42165 is 17596-06-4.
The XLogP3-AA value of NSC42165 is 1.5.
The hydrogen bond donor count of NSC42165 is 3.
Yes, NSC42165 is a canonicalized compound according to PubChem.