2-(2-nitrophenyl)sulfanylbutanoic acid

Systemtic Name: 2-(2-nitrophenyl)sulfanylbutanoic acid Openeye Name: 2-(2-nitrophenyl)sulfanylbutanoic acid CAS Name: 2-[(2-nitrophenyl)thio]butanoic acid IUPAC Name: 2-(2-nitrophenyl)sulfanylbutanoic acid Traditional Name: 2-[(2-nitrophenyl)thio]butyric acid Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)SC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C10H11NO4S/c1-2-8(10(12)13)16-9-6-4-3-5-7(9)11(14)15/h3-6,8H,2H2,1H3,(H,12,13)