1-azanyl-1-[3-methoxy-4,5-bis(oxidanyl)phenyl]carbonyl-guanidine sulfate

Systemtic Name: 1-azanyl-1-[3-methoxy-4,5-bis(oxidanyl)phenyl]carbonyl-guanidine sulfate Openeye Name: 1-amino-1-(3,4-dihydroxy-5-methoxy-benzoyl)guanidine sulfate CAS Name: 1-amino-1-[(3,4-dihydroxy-5-methoxyphenyl)-oxomethyl]guanidine sulfate IUPAC Name: 1-amino-1-(3,4-dihydroxy-5-methoxybenzoyl)guanidine sulfate Traditional Name: 1-amino-1-(3,4-dihydroxy-5-methoxy-benzoyl)guanidine sulfate Formula: C18H24N8O12S-2 MolecularWeight: 576.49456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)O)C(=O)N(C(=N)N)N.COC1=CC(=CC(=C1O)O)C(=O)N(C(=N)N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1O)O)C(=O)N(C(=N)N)N.COC1=CC(=CC(=C1O)O)C(=O)N(C(=N)N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C9H12N4O4.H2O4S/c2*1-17-6-3-4(2-5(14)7(6)15)8(16)13(12)9(10)11;1-5(2,3)4/h2*2-3,14-15H,12H2,1H3,(H3,10,11);(H2,1,2,3,4)/p-2