(4-nitrophenyl)methylsulfanyl propanoate

Systemtic Name: (4-nitrophenyl)methylsulfanyl propanoate Openeye Name: (4-nitrophenyl)methylsulfanyl propanoate CAS Name: propanoic acid [(4-nitrophenyl)methylthio] ester IUPAC Name: (4-nitrophenyl)methylsulfanyl propanoate Traditional Name: propionic acid [(4-nitrobenzyl)thio] ester Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OSCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OSCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO4S/c1-2-10(12)15-16-7-8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3