diazanium 5-azanyl-2-(4-azanyl-2-sulfonato-phenoxy)benzenesulfonate

Systemtic Name: diazanium 5-azanyl-2-(4-azanyl-2-sulfonato-phenoxy)benzenesulfonate Openeye Name: diammonium 5-amino-2-(4-amino-2-sulfonato-phenoxy)benzenesulfonate CAS Name: diammonium 5-amino-2-(4-amino-2-sulfonatophenoxy)benzenesulfonate IUPAC Name: diazanium 5-amino-2-(4-amino-2-sulfonatophenoxy)benzenesulfonate Traditional Name: diammonium 5-amino-2-(4-amino-2-sulfonato-phenoxy)besylate Formula: C12H18N4O7S2 MolecularWeight: 394.42392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)[O-])OC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[NH4+].[NH4+]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)[O-])OC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/C12H12N2O7S2.2H3N/c13-7-1-3-9(11(5-7)22(15,16)17)21-10-4-2-8(14)6-12(10)23(18,19)20;;/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20);2*1H3