diazanium 5-azanyl-2-[(4-azanyl-2-sulfonato-phenyl)methyl]benzenesulfonate

Systemtic Name: diazanium 5-azanyl-2-[(4-azanyl-2-sulfonato-phenyl)methyl]benzenesulfonate Openeye Name: diammonium 5-amino-2-[(4-amino-2-sulfonato-phenyl)methyl]benzenesulfonate CAS Name: diammonium 5-amino-2-[(4-amino-2-sulfonatophenyl)methyl]benzenesulfonate IUPAC Name: diazanium 5-amino-2-[(4-amino-2-sulfonatophenyl)methyl]benzenesulfonate Traditional Name: diammonium 5-amino-2-(4-amino-2-sulfonato-benzyl)besylate Formula: C13H20N4O6S2 MolecularWeight: 392.4511

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)[O-])CC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[NH4+].[NH4+]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)[O-])CC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/C13H14N2O6S2.2H3N/c14-10-3-1-8(12(6-10)22(16,17)18)5-9-2-4-11(15)7-13(9)23(19,20)21;;/h1-4,6-7H,5,14-15H2,(H,16,17,18)(H,19,20,21);2*1H3