disodium 5-azanyl-2-(4-azanyl-2-sulfonato-phenyl)sulfanyl-benzenesulfonate

Systemtic Name: disodium 5-azanyl-2-(4-azanyl-2-sulfonato-phenyl)sulfanyl-benzenesulfonate Openeye Name: disodium 5-amino-2-(4-amino-2-sulfonato-phenyl)sulfanyl-benzenesulfonate CAS Name: disodium 5-amino-2-[(4-amino-2-sulfonatophenyl)thio]benzenesulfonate IUPAC Name: disodium 5-amino-2-(4-amino-2-sulfonatophenyl)sulfanylbenzenesulfonate Traditional Name: disodium 5-amino-2-[(4-amino-2-sulfonato-phenyl)thio]besylate Formula: C12H10N2Na2O6S3 MolecularWeight: 420.39214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)[O-])SC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)[O-])SC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H12N2O6S3.2Na/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);;/q;2*+1/p-2