(2-oxidanyl-3-thiocyanato-propyl) benzoate

Systemtic Name: (2-oxidanyl-3-thiocyanato-propyl) benzoate Openeye Name: (2-hydroxy-3-thiocyanato-propyl) benzoate CAS Name: benzoic acid (2-hydroxy-3-thiocyanatopropyl) ester IUPAC Name: (2-hydroxy-3-thiocyanatopropyl) benzoate Traditional Name: benzoic acid (2-hydroxy-3-thiocyanato-propyl) ester Formula: C11H11NO3S MolecularWeight: 237.27494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(CSC#N)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(CSC#N)O

InChI

InChI=1S/C11H11NO3S/c12-8-16-7-10(13)6-15-11(14)9-4-2-1-3-5-9/h1-5,10,13H,6-7H2