ethyl 2-(4-methylsulfanylphenyl)-3-nitro-2-oxidanyl-propanoate

Systemtic Name: ethyl 2-(4-methylsulfanylphenyl)-3-nitro-2-oxidanyl-propanoate Openeye Name: ethyl 2-hydroxy-2-(4-methylsulfanylphenyl)-3-nitro-propanoate CAS Name: 2-hydroxy-2-[4-(methylthio)phenyl]-3-nitropropanoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-2-(4-methylsulfanylphenyl)-3-nitropropanoate Traditional Name: 2-hydroxy-2-[4-(methylthio)phenyl]-3-nitro-propionic acid ethyl ester Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[N+](=O)[O-])(C1=CC=C(C=C1)SC)O

Isomeric SMILES

CCOC(=O)C(C[N+](=O)[O-])(C1=CC=C(C=C1)SC)O

InChI

InChI=1S/C12H15NO5S/c1-3-18-11(14)12(15,8-13(16)17)9-4-6-10(19-2)7-5-9/h4-7,15H,3,8H2,1-2H3