2,2,5,5-tetrakis(isocyanatomethylsulfanyl)-1,4-dithiane

Systemtic Name: 2,2,5,5-tetrakis(isocyanatomethylsulfanyl)-1,4-dithiane Openeye Name: 2,2,5,5-tetrakis(isocyanatomethylsulfanyl)-1,4-dithiane CAS Name: 2,2,5,5-tetrakis(isocyanatomethylthio)-1,4-dithiane IUPAC Name: 2,2,5,5-tetrakis(isocyanatomethylsulfanyl)-1,4-dithiane Traditional Name: 2,2,5,5-tetrakis(isocyanatomethylthio)-1,4-dithiane Formula: C12H12N4O4S6 MolecularWeight: 468.63808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(SCC(S1)(SCN=C=O)SCN=C=O)(SCN=C=O)SCN=C=O

Isomeric SMILES

C1C(SCC(S1)(SCN=C=O)SCN=C=O)(SCN=C=O)SCN=C=O

InChI

InChI=1S/C12H12N4O4S6/c17-3-13-7-23-11(24-8-14-4-18)1-21-12(2-22-11,25-9-15-5-19)26-10-16-6-20/h1-2,7-10H2