ethyl 4-(4-nitrophenyl)sulfanylbutanoate

Systemtic Name: ethyl 4-(4-nitrophenyl)sulfanylbutanoate Openeye Name: ethyl 4-(4-nitrophenyl)sulfanylbutanoate CAS Name: 4-[(4-nitrophenyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-(4-nitrophenyl)sulfanylbutanoate Traditional Name: 4-[(4-nitrophenyl)thio]butyric acid ethyl ester Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCSC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO4S/c1-2-17-12(14)4-3-9-18-11-7-5-10(6-8-11)13(15)16/h5-8H,2-4,9H2,1H3