methyl 4-(4-nitrophenyl)sulfanylbutanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4S/c1-16-11(13)3-2-8-17-10-6-4-9(5-7-10)12(14)15/h4-7H,2-3,8H2,1H3