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

Systemtic Name: 3-acetamido-5-[[5-[(3-acetamido-5-sulfonato-phenyl)diazenyl]-2,4-bis(azanyl)phenyl]diazenyl]benzenesulfonate Openeye Name: 3-acetamido-5-[5-(3-acetamido-5-sulfonato-phenyl)azo-2,4-diamino-phenyl]azo-benzenesulfonate CAS Name: 3-acetamido-5-[5-(3-acetamido-5-sulfonatophenyl)azo-2,4-diaminophenyl]azobenzenesulfonate IUPAC Name: 3-acetamido-5-[[5-[(3-acetamido-5-sulfonatophenyl)diazenyl]-2,4-diaminophenyl]diazenyl]benzenesulfonate Traditional Name: 3-acetamido-5-[5-(3-acetamido-5-sulfonato-phenyl)azo-2,4-diamino-phenyl]azo-besylate Formula: C22H20N8O8S2-2 MolecularWeight: 588.573

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)N=NC2=CC(=C(C=C2N)N)N=NC3=CC(=CC(=C3)S(=O)(=O)[O-])NC(=O)C)S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)N=NC2=CC(=C(C=C2N)N)N=NC3=CC(=CC(=C3)S(=O)(=O)[O-])NC(=O)C)S(=O)(=O)[O-]

InChI

InChI=1S/C22H22N8O8S2/c1-11(31)25-13-3-15(7-17(5-13)39(33,34)35)27-29-21-10-22(20(24)9-19(21)23)30-28-16-4-14(26-12(2)32)6-18(8-16)40(36,37)38/h3-10H,23-24H2,1-2H3,(H,25,31)(H,26,32)(H,33,34,35)(H,36,37,38)/p-2