guanidine; (3-methyl-4-oxidanyl-phenyl) hydrogen sulfate

Systemtic Name: guanidine; (3-methyl-4-oxidanyl-phenyl) hydrogen sulfate Openeye Name: guanidine; (4-hydroxy-3-methyl-phenyl) hydrogen sulfate CAS Name: guanidine; sulfuric acid (4-hydroxy-3-methylphenyl) ester IUPAC Name: guanidine; (4-hydroxy-3-methylphenyl) hydrogen sulfate Traditional Name: guanidine; sulfuric acid (4-hydroxy-3-methyl-phenyl) ester Formula: C8H13N3O5S MolecularWeight: 263.27092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OS(=O)(=O)O)O.C(=N)(N)N

Isomeric SMILES

CC1=C(C=CC(=C1)OS(=O)(=O)O)O.C(=N)(N)N

InChI

InChI=1S/C7H8O5S.CH5N3/c1-5-4-6(2-3-7(5)8)12-13(9,10)11;2-1(3)4/h2-4,8H,1H3,(H,9,10,11);(H5,2,3,4)