120-35-4 Purity
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The molecular formula of Fast Red Salt ITR is C11H16ClN3O3S.
The molecular weight of Fast Red Salt ITR is 305.78 g/mol.
The IUPAC name of Fast Red Salt ITR is 5-(diethylsulfamoyl)-2-methoxybenzenediazonium; chloride.
The InChI of Fast Red Salt ITR is InChI=1S/C11H16N3O3S.ClH/c1-4-14(5-2)18(15,16)9-6-7-11(17-3)10(8-9)13-12;/h6-8H,4-5H2,1-3H3;1H/q+1;/p-1.
The InChIKey of Fast Red Salt ITR is KKLHKLGGOAYNBC-UHFFFAOYSA-M.
The canonical SMILES of Fast Red Salt ITR is CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)[N+]#N.[Cl-].
The hydrogen bond donor count of Fast Red Salt ITR is 0.
The hydrogen bond acceptor count of Fast Red Salt ITR is 6.
The rotatable bond count of Fast Red Salt ITR is 5.
Yes, Fast Red Salt ITR is a canonicalized compound.