3-nitro-4-(oxolan-2-ylmethylsulfanyl)benzoate

Systemtic Name: 3-nitro-4-(oxolan-2-ylmethylsulfanyl)benzoate Openeye Name: 3-nitro-4-(tetrahydrofuran-2-ylmethylsulfanyl)benzoate CAS Name: 3-nitro-4-(2-oxolanylmethylthio)benzoate IUPAC Name: 3-nitro-4-(oxolan-2-ylmethylsulfanyl)benzoate Traditional Name: 3-nitro-4-(tetrahydrofurfurylthio)benzoate Formula: C12H12NO5S- MolecularWeight: 282.29238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CSC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13NO5S/c14-12(15)8-3-4-11(10(6-8)13(16)17)19-7-9-2-1-5-18-9/h3-4,6,9H,1-2,5,7H2,(H,14,15)/p-1