methyl 4-(2-nitrophenyl)sulfanylbutanoate

Systemtic Name: methyl 4-(2-nitrophenyl)sulfanylbutanoate Openeye Name: methyl 4-(2-nitrophenyl)sulfanylbutanoate CAS Name: 4-[(2-nitrophenyl)thio]butanoic acid methyl ester IUPAC Name: methyl 4-(2-nitrophenyl)sulfanylbutanoate Traditional Name: 4-[(2-nitrophenyl)thio]butyric acid methyl ester Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4S/c1-16-11(13)7-4-8-17-10-6-3-2-5-9(10)12(14)15/h2-3,5-6H,4,7-8H2,1H3