guanidine; 2-(4-methylsulfonylphenyl)sulfonylethanoic acid

Systemtic Name: guanidine; 2-(4-methylsulfonylphenyl)sulfonylethanoic acid Openeye Name: guanidine; 2-(4-methylsulfonylphenyl)sulfonylacetic acid CAS Name: guanidine; 2-(4-methylsulfonylphenyl)sulfonylacetic acid IUPAC Name: guanidine; 2-(4-methylsulfonylphenyl)sulfonylacetic acid Traditional Name: guanidine; 2-(4-mesylphenyl)sulfonylacetic acid Formula: C10H15N3O6S2 MolecularWeight: 337.3726

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)CC(=O)O.C(=N)(N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)CC(=O)O.C(=N)(N)N

InChI

InChI=1S/C9H10O6S2.CH5N3/c1-16(12,13)7-2-4-8(5-3-7)17(14,15)6-9(10)11;2-1(3)4/h2-5H,6H2,1H3,(H,10,11);(H5,2,3,4)