(3-ethoxy-5-methyl-phenyl) 2-(trifluoromethyl)benzenesulfonate; 2-(methylideneamino)guanidine

Systemtic Name: (3-ethoxy-5-methyl-phenyl) 2-(trifluoromethyl)benzenesulfonate; 2-(methylideneamino)guanidine Openeye Name: (3-ethoxy-5-methyl-phenyl) 2-(trifluoromethyl)benzenesulfonate; 2-(methyleneamino)guanidine CAS Name: 2-(methyleneamino)guanidine; 2-(trifluoromethyl)benzenesulfonic acid (3-ethoxy-5-methylphenyl) ester IUPAC Name: (3-ethoxy-5-methylphenyl) 2-(trifluoromethyl)benzenesulfonate; 2-(methylideneamino)guanidine Traditional Name: 2-(methyleneamino)guanidine; 2-(trifluoromethyl)benzenesulfonic acid (3-ethoxy-5-methyl-phenyl) ester Formula: C18H21F3N4O4S MolecularWeight: 446.44395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2C(F)(F)F.C=NN=C(N)N

Isomeric SMILES

CCOC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2C(F)(F)F.C=NN=C(N)N

InChI

InChI=1S/C16H15F3O4S.C2H6N4/c1-3-22-12-8-11(2)9-13(10-12)23-24(20,21)15-7-5-4-6-14(15)16(17,18)19;1-5-6-2(3)4/h4-10H,3H2,1-2H3;1H2,(H4,3,4,6)