3-(2-chloranyl-5-nitro-phenyl)sulfonylpropanoic acid

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)sulfonylpropanoic acid Openeye Name: 3-(2-chloro-5-nitro-phenyl)sulfonylpropanoic acid CAS Name: 3-(2-chloro-5-nitrophenyl)sulfonylpropanoic acid IUPAC Name: 3-(2-chloro-5-nitrophenyl)sulfonylpropanoic acid Traditional Name: 3-(2-chloro-5-nitro-phenyl)sulfonylpropionic acid Formula: C9H8ClNO6S MolecularWeight: 293.68092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8ClNO6S/c10-7-2-1-6(11(14)15)5-8(7)18(16,17)4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)