disodium 5-azanyl-2-[2-(4-azanyl-2-sulfonato-phenyl)ethyl]benzenesulfonate

Systemtic Name: disodium 5-azanyl-2-[2-(4-azanyl-2-sulfonato-phenyl)ethyl]benzenesulfonate Openeye Name: disodium 5-amino-2-[2-(4-amino-2-sulfonato-phenyl)ethyl]benzenesulfonate CAS Name: disodium 5-amino-2-[2-(4-amino-2-sulfonatophenyl)ethyl]benzenesulfonate IUPAC Name: disodium 5-amino-2-[2-(4-amino-2-sulfonatophenyl)ethyl]benzenesulfonate Traditional Name: disodium 5-amino-2-[2-(4-amino-2-sulfonato-phenyl)ethyl]besylate Formula: C14H14N2Na2O6S2 MolecularWeight: 416.3803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)[O-])CCC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)[O-])CCC2=C(C=C(C=C2)N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H16N2O6S2.2Na/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;;/h3-8H,1-2,15-16H2,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2