3-(2-hydroxyethyl)-5-nitro-2-sulfanyl-benzoic acid

Systemtic Name: 3-(2-hydroxyethyl)-5-nitro-2-sulfanyl-benzoic acid Openeye Name: 3-(2-hydroxyethyl)-5-nitro-2-sulfanyl-benzoic acid CAS Name: 3-(2-hydroxyethyl)-2-mercapto-5-nitrobenzoic acid IUPAC Name: 3-(2-hydroxyethyl)-5-nitro-2-sulfanylbenzoic acid Traditional Name: 3-(2-hydroxyethyl)-2-mercapto-5-nitro-benzoic acid Formula: C9H9NO5S MolecularWeight: 243.23646

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1CCO)S)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1CCO)S)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO5S/c11-2-1-5-3-6(10(14)15)4-7(8(5)16)9(12)13/h3-4,11,16H,1-2H2,(H,12,13)