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

Systemtic Name: (3-ethoxy-5-methyl-phenyl) 3-fluoranylbenzenesulfonate; 2-(methylideneamino)guanidine Openeye Name: (3-ethoxy-5-methyl-phenyl) 3-fluorobenzenesulfonate; 2-(methyleneamino)guanidine CAS Name: 3-fluorobenzenesulfonic acid (3-ethoxy-5-methylphenyl) ester; 2-(methyleneamino)guanidine IUPAC Name: (3-ethoxy-5-methylphenyl) 3-fluorobenzenesulfonate; 2-(methylideneamino)guanidine Traditional Name: 3-fluorobenzenesulfonic acid (3-ethoxy-5-methyl-phenyl) ester; 2-(methyleneamino)guanidine Formula: C17H21FN4O4S MolecularWeight: 396.436443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15FO4S.C2H6N4/c1-3-19-13-7-11(2)8-14(10-13)20-21(17,18)15-6-4-5-12(16)9-15;1-5-6-2(3)4/h4-10H,3H2,1-2H3;1H2,(H4,3,4,6)