2-[(2-cyanophenyl)methylsulfonyl]ethanoate

Systemtic Name: 2-[(2-cyanophenyl)methylsulfonyl]ethanoate Openeye Name: 2-[(2-cyanophenyl)methylsulfonyl]acetate CAS Name: 2-[(2-cyanophenyl)methylsulfonyl]acetate IUPAC Name: 2-[(2-cyanophenyl)methylsulfonyl]acetate Traditional Name: 2-(2-cyanobenzyl)sulfonylacetate Formula: C10H8NO4S- MolecularWeight: 238.23982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CS(=O)(=O)CC(=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C(=C1)CS(=O)(=O)CC(=O)[O-])C#N

InChI

InChI=1S/C10H9NO4S/c11-5-8-3-1-2-4-9(8)6-16(14,15)7-10(12)13/h1-4H,6-7H2,(H,12,13)/p-1