guanidine; 2-(4-nitrophenyl)sulfonylethanoic acid

Systemtic Name: guanidine; 2-(4-nitrophenyl)sulfonylethanoic acid Openeye Name: guanidine; 2-(4-nitrophenyl)sulfonylacetic acid CAS Name: guanidine; 2-(4-nitrophenyl)sulfonylacetic acid IUPAC Name: guanidine; 2-(4-nitrophenyl)sulfonylacetic acid Traditional Name: guanidine; 2-nosylacetic acid Formula: C9H12N4O6S MolecularWeight: 304.27978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)CC(=O)O.C(=N)(N)N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)CC(=O)O.C(=N)(N)N

InChI

InChI=1S/C8H7NO6S.CH5N3/c10-8(11)5-16(14,15)7-3-1-6(2-4-7)9(12)13;2-1(3)4/h1-4H,5H2,(H,10,11);(H5,2,3,4)