5-azanyl-2-(4-azanyl-2-sulfonato-phenyl)benzenesulfonate; trimethylazanium

Systemtic Name: 5-azanyl-2-(4-azanyl-2-sulfonato-phenyl)benzenesulfonate; trimethylazanium Openeye Name: 5-amino-2-(4-amino-2-sulfonato-phenyl)benzenesulfonate; trimethylammonium CAS Name: 5-amino-2-(4-amino-2-sulfonatophenyl)benzenesulfonate; trimethylammonium IUPAC Name: 5-amino-2-(4-amino-2-sulfonatophenyl)benzenesulfonate; trimethylazanium Traditional Name: 5-amino-2-(4-amino-2-sulfonato-phenyl)besylate; trimethylammonium Formula: C18H30N4O6S2 MolecularWeight: 462.584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O6S2.2C3H9N/c13-7-1-3-9(11(5-7)21(15,16)17)10-4-2-8(14)6-12(10)22(18,19)20;2*1-4(2)3/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20);2*1-3H3