3-[(4-phenyldiazenylphenyl)carbamoylsulfanyl]propanoic acid; sodium

Systemtic Name: 3-[(4-phenyldiazenylphenyl)carbamoylsulfanyl]propanoic acid; sodium Openeye Name: 3-[(4-phenylazophenyl)carbamoylsulfanyl]propanoic acid; sodium CAS Name: 3-[[oxo-(4-phenyldiazenylanilino)methyl]thio]propanoic acid; sodium IUPAC Name: 3-[(4-phenyldiazenylphenyl)carbamoylsulfanyl]propanoic acid; sodium Traditional Name: 3-[(4-phenylazophenyl)carbamoylthio]propionic acid; sodium Formula: C16H15N3NaO3S MolecularWeight: 352.36337

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)SCCC(=O)O.[Na]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)SCCC(=O)O.[Na]

InChI

InChI=1S/C16H15N3O3S.Na/c20-15(21)10-11-23-16(22)17-12-6-8-14(9-7-12)19-18-13-4-2-1-3-5-13;/h1-9H,10-11H2,(H,17,22)(H,20,21);