3-[(4-nitrophenyl)methylsulfanyl]propanoate

Systemtic Name: 3-[(4-nitrophenyl)methylsulfanyl]propanoate Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]propanoate CAS Name: 3-[(4-nitrophenyl)methylthio]propanoate IUPAC Name: 3-[(4-nitrophenyl)methylsulfanyl]propanoate Traditional Name: 3-[(4-nitrobenzyl)thio]propionate Formula: C10H10NO4S- MolecularWeight: 240.2557

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H11NO4S/c12-10(13)5-6-16-7-8-1-3-9(4-2-8)11(14)15/h1-4H,5-7H2,(H,12,13)/p-1