[4-[2-(oxidanylideneboranylmethylamino)ethyl]phenyl] ethanedithioate

Systemtic Name: [4-[2-(oxidanylideneboranylmethylamino)ethyl]phenyl] ethanedithioate Openeye Name: [4-[2-(oxoboranylmethylamino)ethyl]phenyl] ethanedithioate CAS Name: ethanedithioic acid [4-[2-(oxoboranylmethylamino)ethyl]phenyl] ester IUPAC Name: [4-[2-(oxoboranylmethylamino)ethyl]phenyl] ethanedithioate Traditional Name: ethanedithioic acid [4-[2-(ketoboranylmethylamino)ethyl]phenyl] ester Formula: C11H14BNOS2 MolecularWeight: 251.17596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(=O)CNCCC1=CC=C(C=C1)SC(=S)C

Isomeric SMILES

B(=O)CNCCC1=CC=C(C=C1)SC(=S)C

InChI

InChI=1S/C11H14BNOS2/c1-9(15)16-11-4-2-10(3-5-11)6-7-13-8-12-14/h2-5,13H,6-8H2,1H3