disodium 5-azanyl-2-[2-(3-azanyl-5-sulfonato-phenyl)ethyl]benzenesulfonate

Systemtic Name: disodium 5-azanyl-2-[2-(3-azanyl-5-sulfonato-phenyl)ethyl]benzenesulfonate Openeye Name: disodium 5-amino-2-[2-(3-amino-5-sulfonato-phenyl)ethyl]benzenesulfonate CAS Name: disodium 5-amino-2-[2-(3-amino-5-sulfonatophenyl)ethyl]benzenesulfonate IUPAC Name: disodium 5-amino-2-[2-(3-amino-5-sulfonatophenyl)ethyl]benzenesulfonate Traditional Name: disodium 5-amino-2-[2-(3-amino-5-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=CC(=CC(=C2)S(=O)(=O)[O-])N.[Na+].[Na+]

Isomeric SMILES

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

InChI

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