5-azanyl-2-[2-(4-azanyl-2-sulfo-phenyl)ethynyl]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[2-(4-azanyl-2-sulfo-phenyl)ethynyl]benzenesulfonic acid Openeye Name: 5-amino-2-[2-(4-amino-2-sulfo-phenyl)ethynyl]benzenesulfonic acid CAS Name: 5-amino-2-[2-(4-amino-2-sulfophenyl)ethynyl]benzenesulfonic acid IUPAC Name: 5-amino-2-[2-(4-amino-2-sulfophenyl)ethynyl]benzenesulfonic acid Traditional Name: 5-amino-2-[2-(4-amino-2-sulfo-phenyl)ethynyl]besylic acid Formula: C14H12N2O6S2 MolecularWeight: 368.38488

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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)