4-acetamido-2-azanyl-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid

Systemtic Name: 4-acetamido-2-azanyl-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid Openeye Name: 4-acetamido-2-amino-5-[4-(2-sulfooxyethylsulfonyl)phenyl]azo-benzenesulfonic acid CAS Name: 4-acetamido-2-amino-5-[4-(2-sulfooxyethylsulfonyl)phenyl]azobenzenesulfonic acid IUPAC Name: 4-acetamido-2-amino-5-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]benzenesulfonic acid Traditional Name: 4-acetamido-2-amino-5-[4-(2-sulfoxyethylsulfonyl)phenyl]azo-besylic acid Formula: C16H18N4O10S3 MolecularWeight: 522.52992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C16H18N4O10S3/c1-10(21)18-14-8-13(17)16(32(24,25)26)9-15(14)20-19-11-2-4-12(5-3-11)31(22,23)7-6-30-33(27,28)29/h2-5,8-9H,6-7,17H2,1H3,(H,18,21)(H,24,25,26)(H,27,28,29)