3-acetamido-4-[(2-acetamido-4-sulfo-phenyl)diazenyl]benzenesulfonic acid

Systemtic Name: 3-acetamido-4-[(2-acetamido-4-sulfo-phenyl)diazenyl]benzenesulfonic acid Openeye Name: 3-acetamido-4-(2-acetamido-4-sulfo-phenyl)azo-benzenesulfonic acid CAS Name: 3-acetamido-4-(2-acetamido-4-sulfophenyl)azobenzenesulfonic acid IUPAC Name: 3-acetamido-4-[(2-acetamido-4-sulfophenyl)diazenyl]benzenesulfonic acid Traditional Name: 3-acetamido-4-(2-acetamido-4-sulfo-phenyl)azo-besylic acid Formula: C16H16N4O8S2 MolecularWeight: 456.45024

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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)