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

Systemtic Name: 4-(2-hydroxyethylsulfanyl)-3-nitro-benzoic acid Openeye Name: 4-(2-hydroxyethylsulfanyl)-3-nitro-benzoic acid CAS Name: 4-(2-hydroxyethylthio)-3-nitrobenzoic acid IUPAC Name: 4-(2-hydroxyethylsulfanyl)-3-nitrobenzoic acid Traditional Name: 4-(2-hydroxyethylthio)-3-nitro-benzoic acid Formula: C9H9NO5S MolecularWeight: 243.23646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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