4-(2-nitrothiophen-3-yl)sulfanylbutanoic acid

Systemtic Name: 4-(2-nitrothiophen-3-yl)sulfanylbutanoic acid Openeye Name: 4-[(2-nitro-3-thienyl)sulfanyl]butanoic acid CAS Name: 4-[(2-nitro-3-thiophenyl)thio]butanoic acid IUPAC Name: 4-(2-nitrothiophen-3-yl)sulfanylbutanoic acid Traditional Name: 4-[(2-nitro-3-thienyl)thio]butyric acid Formula: C8H9NO4S2 MolecularWeight: 247.29136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1SCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1SCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H9NO4S2/c10-7(11)2-1-4-14-6-3-5-15-8(6)9(12)13/h3,5H,1-2,4H2,(H,10,11)