5-(2-hydroxyethylsulfanyl)-2-nitro-benzoic acid

Systemtic Name: 5-(2-hydroxyethylsulfanyl)-2-nitro-benzoic acid Openeye Name: 5-(2-hydroxyethylsulfanyl)-2-nitro-benzoic acid CAS Name: 5-(2-hydroxyethylthio)-2-nitrobenzoic acid IUPAC Name: 5-(2-hydroxyethylsulfanyl)-2-nitrobenzoic acid Traditional Name: 5-(2-hydroxyethylthio)-2-nitro-benzoic acid Formula: C9H9NO5S MolecularWeight: 243.23646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCO)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1SCCO)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO5S/c11-3-4-16-6-1-2-8(10(14)15)7(5-6)9(12)13/h1-2,5,11H,3-4H2,(H,12,13)