[2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl] sulfate; methanimidamide

Systemtic Name: [2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl] sulfate; methanimidamide Openeye Name: [2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl] sulfate; methanimidamide CAS Name: [2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl] sulfate; methanimidamide IUPAC Name: [2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl] sulfate; methanimidamide Traditional Name: [2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl] sulfate; formamidine Formula: C16H16F3N2O5S- MolecularWeight: 405.36885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OS(=O)(=O)[O-])C)OC2=CC=CC(=C2)C(F)(F)F.C(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1OS(=O)(=O)[O-])C)OC2=CC=CC(=C2)C(F)(F)F.C(=N)N

InChI

InChI=1S/C15H13F3O5S.CH4N2/c1-9-7-14(23-24(19,20)21)10(2)6-13(9)22-12-5-3-4-11(8-12)15(16,17)18;2-1-3/h3-8H,1-2H3,(H,19,20,21);1H,(H3,2,3)/p-1