2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]acetic acid Formula: C10H9NO5S MolecularWeight: 255.24716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO5S/c12-9(5-17-6-10(13)14)7-2-1-3-8(4-7)11(15)16/h1-4H,5-6H2,(H,13,14)