O-[2-[2,4,6-tris(oxidanylidene)-3,5-bis(1-propanethioyloxyoctan-2-yl)-1,3,5-triazinan-1-yl]octyl] propanethioate

Systemtic Name: O-[2-[2,4,6-tris(oxidanylidene)-3,5-bis(1-propanethioyloxyoctan-2-yl)-1,3,5-triazinan-1-yl]octyl] propanethioate Openeye Name: O-[2-[2,4,6-trioxo-3,5-bis[1-(propanethioyloxymethyl)heptyl]-1,3,5-triazinan-1-yl]octyl] propanethioate CAS Name: propanethioic acid O-[2-[2,4,6-trioxo-3,5-bis[1-(1-sulfanylidenepropoxy)octan-2-yl]-1,3,5-triazinan-1-yl]octyl] ester IUPAC Name: O-[2-[2,4,6-trioxo-3,5-bis(1-propanethioyloxyoctan-2-yl)-1,3,5-triazinan-1-yl]octyl] propanethioate Traditional Name: propanethioic acid O-[2-[2,4,6-triketo-3,5-bis[1-(propanethioyloxymethyl)heptyl]-1,3,5-triazinan-1-yl]octyl] ester Formula: C36H63N3O6S3 MolecularWeight: 730.09692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(COC(=S)CC)N1C(=O)N(C(=O)N(C1=O)C(CCCCCC)COC(=S)CC)C(CCCCCC)COC(=S)CC

Isomeric SMILES

CCCCCCC(COC(=S)CC)N1C(=O)N(C(=O)N(C1=O)C(CCCCCC)COC(=S)CC)C(CCCCCC)COC(=S)CC

InChI

InChI=1S/C36H63N3O6S3/c1-7-13-16-19-22-28(25-43-31(46)10-4)37-34(40)38(29(23-20-17-14-8-2)26-44-32(47)11-5)36(42)39(35(37)41)30(24-21-18-15-9-3)27-45-33(48)12-6/h28-30H,7-27H2,1-6H3