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3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]propanoic acid

3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]propanoic acid

Systemtic Name:3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]propanoic acid
Openeye Name:3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]propanoic acid
CAS Name:3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)thio]propanoic acid
IUPAC Name:3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]propanoic acid
Traditional Name:3-[(7-nitrobenzofurazan-4-yl)thio]propionic acid
Formula: C9H7N3O5S
MolecularWeight: 269.23398
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NON=C2C(=C1)SCCC(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=C(C2=NON=C2C(=C1)SCCC(=O)O)[N+](=O)[O-]


InChI

InChI=1S/C9H7N3O5S/c13-7(14)3-4-18-6-2-1-5(12(15)16)8-9(6)11-17-10-8/h1-2H,3-4H2,(H,13,14)


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