3-acetamido-4-[(2-acetamido-4-sulfonato-phenyl)diazenyl]benzenesulfonate

Systemtic Name: 3-acetamido-4-[(2-acetamido-4-sulfonato-phenyl)diazenyl]benzenesulfonate Openeye Name: 3-acetamido-4-(2-acetamido-4-sulfonato-phenyl)azo-benzenesulfonate CAS Name: 3-acetamido-4-(2-acetamido-4-sulfonatophenyl)azobenzenesulfonate IUPAC Name: 3-acetamido-4-[(2-acetamido-4-sulfonatophenyl)diazenyl]benzenesulfonate Traditional Name: 3-acetamido-4-(2-acetamido-4-sulfonato-phenyl)azo-besylate Formula: C16H14N4O8S2-2 MolecularWeight: 454.43436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)[O-])N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])NC(=O)C

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)[O-])N=NC2=C(C=C(C=C2)S(=O)(=O)[O-])NC(=O)C

InChI

InChI=1S/C16H16N4O8S2/c1-9(21)17-15-7-11(29(23,24)25)3-5-13(15)19-20-14-6-4-12(30(26,27)28)8-16(14)18-10(2)22/h3-8H,1-2H3,(H,17,21)(H,18,22)(H,23,24,25)(H,26,27,28)/p-2