[(2S)-3-phenylmethoxy-2-sulfooxy-propyl] thiocyanate

Systemtic Name: [(2S)-3-phenylmethoxy-2-sulfooxy-propyl] thiocyanate Openeye Name: [(2S)-3-benzyloxy-2-sulfooxy-propyl] thiocyanate CAS Name: thiocyanic acid [(2S)-3-phenylmethoxy-2-sulfooxypropyl] ester IUPAC Name: [(2S)-3-phenylmethoxy-2-sulfooxypropyl] thiocyanate Traditional Name: thiocyanic acid [(2S)-3-benzoxy-2-sulfoxy-propyl] ester Formula: C11H13NO5S2 MolecularWeight: 303.35462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CSC#N)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H](CSC#N)OS(=O)(=O)O

InChI

InChI=1S/C11H13NO5S2/c12-9-18-8-11(17-19(13,14)15)7-16-6-10-4-2-1-3-5-10/h1-5,11H,6-8H2,(H,13,14,15)/t11-/m0/s1