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

Systemtic Name: methyl 3-nitro-4-(oxolan-2-ylmethylsulfanyl)benzoate Openeye Name: methyl 3-nitro-4-(tetrahydrofuran-2-ylmethylsulfanyl)benzoate CAS Name: 3-nitro-4-(2-oxolanylmethylthio)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(oxolan-2-ylmethylsulfanyl)benzoate Traditional Name: 3-nitro-4-(tetrahydrofurfurylthio)benzoic acid methyl ester Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SCC2CCCO2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SCC2CCCO2)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO5S/c1-18-13(15)9-4-5-12(11(7-9)14(16)17)20-8-10-3-2-6-19-10/h4-5,7,10H,2-3,6,8H2,1H3