S-[(4-nitrophenyl)methyl] ethanethioate

Systemtic Name: S-[(4-nitrophenyl)methyl] ethanethioate Openeye Name: S-[(4-nitrophenyl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(4-nitrophenyl)methyl] ester IUPAC Name: S-[(4-nitrophenyl)methyl] ethanethioate Traditional Name: ethanethioic acid S-(4-nitrobenzyl) ester Formula: C9H9NO3S MolecularWeight: 211.23766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO3S/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3