2-[4-(2-hydroxyethyl)-2-nitro-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(2-hydroxyethyl)-2-nitro-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-(2-hydroxyethyl)-2-nitro-phenyl]sulfanylacetic acid CAS Name: 2-[[4-(2-hydroxyethyl)-2-nitrophenyl]thio]acetic acid IUPAC Name: 2-[4-(2-hydroxyethyl)-2-nitrophenyl]sulfanylacetic acid Traditional Name: 2-[[4-(2-hydroxyethyl)-2-nitro-phenyl]thio]acetic acid Formula: C10H11NO5S MolecularWeight: 257.26304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO5S/c12-4-3-7-1-2-9(17-6-10(13)14)8(5-7)11(15)16/h1-2,5,12H,3-4,6H2,(H,13,14)