4-(2-hydroxyethyl)-3-nitro-2-sulfanyl-benzoic acid

Systemtic Name: 4-(2-hydroxyethyl)-3-nitro-2-sulfanyl-benzoic acid Openeye Name: 4-(2-hydroxyethyl)-3-nitro-2-sulfanyl-benzoic acid CAS Name: 4-(2-hydroxyethyl)-2-mercapto-3-nitrobenzoic acid IUPAC Name: 4-(2-hydroxyethyl)-3-nitro-2-sulfanylbenzoic acid Traditional Name: 4-(2-hydroxyethyl)-2-mercapto-3-nitro-benzoic acid Formula: C9H9NO5S MolecularWeight: 243.23646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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