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

Systemtic Name: [2-(2-dimethylaminoethyloxycarbonylamino)sulfanyl-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [2-(2-dimethylaminoethyloxycarbonylamino)sulfanyl-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-[[[2-dimethylaminoethyloxy(oxo)methyl]amino]thio]-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [2-(2-dimethylaminoethyloxycarbonylamino)sulfanyl-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-[(2-dimethylaminoethyloxycarbonylamino)thio]-3-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C44H82N2O6S MolecularWeight: 767.19668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H82N2O6S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(47)51-39-41(53-45-44(49)50-38-37-46(3)4)40-52-43(48)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41H,5-18,23-40H2,1-4H3,(H,45,49)/b21-19+,22-20+