[2-(2-diethylaminoethyloxycarbonylamino)sulfanyl-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [2-(2-diethylaminoethyloxycarbonylamino)sulfanyl-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [2-(2-diethylaminoethyloxycarbonylamino)sulfanyl-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-[[[2-diethylaminoethyloxy(oxo)methyl]amino]thio]-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [2-(2-diethylaminoethyloxycarbonylamino)sulfanyl-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-[(2-diethylaminoethyloxycarbonylamino)thio]-3-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C46H86N2O6S MolecularWeight: 795.24984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)SNC(=O)OCCN(CC)CC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(SNC(=O)OCCN(CC)CC)COC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C46H86N2O6S/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(49)53-41-43(55-47-46(51)52-40-39-48(7-3)8-4)42-54-45(50)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h21-24,43H,5-20,25-42H2,1-4H3,(H,47,51)/b23-21+,24-22+