[3-[hexadecoxy(oxidanyl)phosphinothioyl]oxyquinoxalin-2-yl] (E)-nonadec-6-enoate

Systemtic Name: [3-[hexadecoxy(oxidanyl)phosphinothioyl]oxyquinoxalin-2-yl] (E)-nonadec-6-enoate Openeye Name: [3-[hexadecoxy(hydroxy)phosphinothioyl]oxyquinoxalin-2-yl] (E)-nonadec-6-enoate CAS Name: (E)-6-nonadecenoic acid [3-[hexadecoxy(hydroxy)phosphinothioyl]oxy-2-quinoxalinyl] ester IUPAC Name: [3-[hexadecoxy(hydroxy)phosphinothioyl]oxyquinoxalin-2-yl] (E)-nonadec-6-enoate Traditional Name: (E)-nonadec-6-enoic acid [3-[cetyloxy(hydroxy)thiophosphoryl]oxyquinoxalin-2-yl] ester Formula: C43H73N2O5PS MolecularWeight: 761.088881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=S)(O)OC1=NC2=CC=CC=C2N=C1OC(=O)CCCCC=CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=S)(O)OC1=NC2=CC=CC=C2N=C1OC(=O)CCCC/C=C/CCCCCCCCCCCC

InChI

InChI=1S/C43H73N2O5PS/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-37-41(46)49-42-43(45-40-36-33-32-35-39(40)44-42)50-51(47,52)48-38-34-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h23,25,32-33,35-36H,3-22,24,26-31,34,37-38H2,1-2H3,(H,47,52)/b25-23+