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

Systemtic Name: [2-(2-diethylaminoethylsulfamoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [2-(2-diethylaminoethylsulfamoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-(2-diethylaminoethylsulfamoyloxy)-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [2-(2-diethylaminoethylsulfamoyloxy)-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-(2-diethylaminoethylsulfamoyloxy)-3-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C45H86N2O7S MolecularWeight: 799.23854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OS(=O)(=O)NCCN(CC)CC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OS(=O)(=O)NCCN(CC)CC)COC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C45H86N2O7S/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(48)52-41-43(54-55(50,51)46-39-40-47(7-3)8-4)42-53-45(49)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h21-24,43,46H,5-20,25-42H2,1-4H3/b23-21+,24-22+