methyl 4-(2-hydroxyethylsulfanyl)-3-nitro-benzoate

Systemtic Name: methyl 4-(2-hydroxyethylsulfanyl)-3-nitro-benzoate Openeye Name: methyl 4-(2-hydroxyethylsulfanyl)-3-nitro-benzoate CAS Name: 4-(2-hydroxyethylthio)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(2-hydroxyethylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(2-hydroxyethylthio)-3-nitro-benzoic acid methyl ester Formula: C10H11NO5S MolecularWeight: 257.26304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO5S/c1-16-10(13)7-2-3-9(17-5-4-12)8(6-7)11(14)15/h2-3,6,12H,4-5H2,1H3