2-(furan-2-ylmethylsulfanyl)-5-nitro-benzoic acid

Systemtic Name: 2-(furan-2-ylmethylsulfanyl)-5-nitro-benzoic acid Openeye Name: 2-(2-furylmethylsulfanyl)-5-nitro-benzoic acid CAS Name: 2-(2-furanylmethylthio)-5-nitrobenzoic acid IUPAC Name: 2-(furan-2-ylmethylsulfanyl)-5-nitrobenzoic acid Traditional Name: 2-(2-furfurylthio)-5-nitro-benzoic acid Formula: C12H9NO5S MolecularWeight: 279.26856

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=COC(=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H9NO5S/c14-12(15)10-6-8(13(16)17)3-4-11(10)19-7-9-2-1-5-18-9/h1-6H,7H2,(H,14,15)