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

Systemtic Name: 5-azanyl-2-[2-(4-azanyl-2-sulfonato-phenyl)ethynyl]benzenesulfonate Openeye Name: 5-amino-2-[2-(4-amino-2-sulfonato-phenyl)ethynyl]benzenesulfonate CAS Name: 5-amino-2-[2-(4-amino-2-sulfonatophenyl)ethynyl]benzenesulfonate IUPAC Name: 5-amino-2-[2-(4-amino-2-sulfonatophenyl)ethynyl]benzenesulfonate Traditional Name: 5-amino-2-[2-(4-amino-2-sulfonato-phenyl)ethynyl]besylate Formula: C14H10N2O6S2-2 MolecularWeight: 366.369

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)[O-])C#CC2=C(C=C(C=C2)N)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)[O-])C#CC2=C(C=C(C=C2)N)S(=O)(=O)[O-]

InChI

InChI=1S/C14H12N2O6S2/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,15-16H2,(H,17,18,19)(H,20,21,22)/p-2