2-(2-nitro-1-thiophen-2-yl-ethyl)sulfanylbenzoic acid

Systemtic Name: 2-(2-nitro-1-thiophen-2-yl-ethyl)sulfanylbenzoic acid Openeye Name: 2-[2-nitro-1-(2-thienyl)ethyl]sulfanylbenzoic acid CAS Name: 2-[(2-nitro-1-thiophen-2-ylethyl)thio]benzoic acid IUPAC Name: 2-(2-nitro-1-thiophen-2-ylethyl)sulfanylbenzoic acid Traditional Name: 2-[[2-nitro-1-(2-thienyl)ethyl]thio]benzoic acid Formula: C13H11NO4S2 MolecularWeight: 309.36074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SC(C[N+](=O)[O-])C2=CC=CS2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SC(C[N+](=O)[O-])C2=CC=CS2

InChI

InChI=1S/C13H11NO4S2/c15-13(16)9-4-1-2-5-10(9)20-12(8-14(17)18)11-6-3-7-19-11/h1-7,12H,8H2,(H,15,16)