3-(2-chloranyl-4-nitro-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)sulfanylpropanoic acid Openeye Name: 3-(2-chloro-4-nitro-phenyl)sulfanylpropanoic acid CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]propanoic acid IUPAC Name: 3-(2-chloro-4-nitrophenyl)sulfanylpropanoic acid Traditional Name: 3-[(2-chloro-4-nitro-phenyl)thio]propionic acid Formula: C9H8ClNO4S MolecularWeight: 261.68212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Cl)SCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Cl)SCCC(=O)O

InChI

InChI=1S/C9H8ClNO4S/c10-7-5-6(11(14)15)1-2-8(7)16-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)