(4-methanoylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: (4-methanoylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate Openeye Name: (4-formylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate CAS Name: 3-[(4-nitrophenyl)thio]propanoic acid (4-formylphenyl) ester IUPAC Name: (4-formylphenyl) 3-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-nitrophenyl)thio]propionic acid (4-formylphenyl) ester Formula: C16H13NO5S MolecularWeight: 331.34312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=O)OC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=O)OC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO5S/c18-11-12-1-5-14(6-2-12)22-16(19)9-10-23-15-7-3-13(4-8-15)17(20)21/h1-8,11H,9-10H2