bis(azanyl)methylidene-[[3-methoxy-4,5-bis(oxidanyl)phenyl]carbonylamino]azanium sulfate

Systemtic Name: bis(azanyl)methylidene-[[3-methoxy-4,5-bis(oxidanyl)phenyl]carbonylamino]azanium sulfate Openeye Name: diaminomethylene-[(3,4-dihydroxy-5-methoxy-benzoyl)amino]ammonium sulfate CAS Name: diaminomethylidene-[[(3,4-dihydroxy-5-methoxyphenyl)-oxomethyl]amino]ammonium sulfate IUPAC Name: diaminomethylidene-[(3,4-dihydroxy-5-methoxybenzoyl)amino]azanium sulfate Traditional Name: diaminomethylene-[(3,4-dihydroxy-5-methoxy-benzoyl)amino]ammonium sulfate Formula: C18H26N8O12S MolecularWeight: 578.51044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=CC(=C1O)O)C(=O)N[NH+]=C(N)N.COC1=CC(=CC(=C1O)O)C(=O)N[NH+]=C(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)12-13-9(10)11;1-5(2,3)4/h2*2-3,14-15H,1H3,(H,12,16)(H4,10,11,13);(H2,1,2,3,4)