2-[(3-iodanylphenyl)methyl]guanidine; molecular hydrogen; sulfate

Systemtic Name: 2-[(3-iodanylphenyl)methyl]guanidine; molecular hydrogen; sulfate Openeye Name: 2-[(3-iodanylphenyl)methyl]guanidine; molecular hydrogen; sulfate CAS Name: 2-[(3-iodanylphenyl)methyl]guanidine; molecular hydrogen; sulfate IUPAC Name: 2-[(3-iodanylphenyl)methyl]guanidine; molecular hydrogen; sulfate Traditional Name: 2-(3-iodanylbenzyl)guanidine; molecular hydrogen; sulfate Formula: C16H22I2N6O4S-2 MolecularWeight: 640.259876

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Descriptors Computed from Structure

Canonical SMILES:

[HH].C1=CC(=CC(=C1)I)CN=C(N)N.C1=CC(=CC(=C1)I)CN=C(N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

[HH].C1=CC(=CC(=C1)[123I])CN=C(N)N.C1=CC(=CC(=C1)[123I])CN=C(N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C8H10IN3.H2O4S.H2/c2*9-7-3-1-2-6(4-7)5-12-8(10)11;1-5(2,3)4;/h2*1-4H,5H2,(H4,10,11,12);(H2,1,2,3,4);1H/p-2/i2*9-4;;