sodium 5-azanyl-2-(4-azanyl-2-sulfonato-phenyl)benzenesulfonate

Systemtic Name: sodium 5-azanyl-2-(4-azanyl-2-sulfonato-phenyl)benzenesulfonate Openeye Name: sodium 5-amino-2-(4-amino-2-sulfonato-phenyl)benzenesulfonate CAS Name: sodium 5-amino-2-(4-amino-2-sulfonatophenyl)benzenesulfonate IUPAC Name: sodium 5-amino-2-(4-amino-2-sulfonatophenyl)benzenesulfonate Traditional Name: sodium 5-amino-2-(4-amino-2-sulfonato-phenyl)besylate Formula: C12H10N2NaO6S2- MolecularWeight: 365.33737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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