2-[3,5-bis(trifluoromethyl)phenyl]sulfonylguanidine hydrate

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylguanidine hydrate Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylguanidine hydrate CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylguanidine hydrate IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylguanidine hydrate Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylguanidine hydrate Formula: C9H9F6N3O3S MolecularWeight: 353.241479

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)N=C(N)N)C(F)(F)F.O

Isomeric SMILES

C1=C(C=C(C=C1C(F)(F)F)S(=O)(=O)N=C(N)N)C(F)(F)F.O

InChI

InChI=1S/C9H7F6N3O2S.H2O/c10-8(11,12)4-1-5(9(13,14)15)3-6(2-4)21(19,20)18-7(16)17;/h1-3H,(H4,16,17,18);1H2