3-acetamido-5-[[2,4-bis(azanyl)phenyl]diazenyl]benzenesulfonate

Systemtic Name: 3-acetamido-5-[[2,4-bis(azanyl)phenyl]diazenyl]benzenesulfonate Openeye Name: 3-acetamido-5-(2,4-diaminophenyl)azo-benzenesulfonate CAS Name: 3-acetamido-5-(2,4-diaminophenyl)azobenzenesulfonate IUPAC Name: 3-acetamido-5-[(2,4-diaminophenyl)diazenyl]benzenesulfonate Traditional Name: 3-acetamido-5-(2,4-diaminophenyl)azo-besylate Formula: C14H14N5O4S- MolecularWeight: 348.35706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N5O4S/c1-8(20)17-10-5-11(7-12(6-10)24(21,22)23)18-19-14-3-2-9(15)4-13(14)16/h2-7H,15-16H2,1H3,(H,17,20)(H,21,22,23)/p-1