4-(2-carboxyethylsulfanyl)-3-nitro-benzoic acid

Systemtic Name: 4-(2-carboxyethylsulfanyl)-3-nitro-benzoic acid Openeye Name: 4-(2-carboxyethylsulfanyl)-3-nitro-benzoic acid CAS Name: 4-(2-carboxyethylthio)-3-nitrobenzoic acid IUPAC Name: 4-(2-carboxyethylsulfanyl)-3-nitrobenzoic acid Traditional Name: 4-(2-carboxyethylthio)-3-nitro-benzoic acid Formula: C10H9NO6S MolecularWeight: 271.24656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SCCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SCCC(=O)O

InChI

InChI=1S/C10H9NO6S/c12-9(13)3-4-18-8-2-1-6(10(14)15)5-7(8)11(16)17/h1-2,5H,3-4H2,(H,12,13)(H,14,15)