methyl 3-(4-nitrophenyl)sulfanylbutanoate

Systemtic Name: methyl 3-(4-nitrophenyl)sulfanylbutanoate Openeye Name: methyl 3-(4-nitrophenyl)sulfanylbutanoate CAS Name: 3-[(4-nitrophenyl)thio]butanoic acid methyl ester IUPAC Name: methyl 3-(4-nitrophenyl)sulfanylbutanoate Traditional Name: 3-[(4-nitrophenyl)thio]butyric acid methyl ester Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)OC)SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H13NO4S/c1-8(7-11(13)16-2)17-10-5-3-9(4-6-10)12(14)15/h3-6,8H,7H2,1-2H3