[2-[(E)-octadec-9-enoyl]oxy-3-(2-pyrrolidin-1-ylethoxysulfonylamino)propyl] (E)-octadec-9-enoate

Systemtic Name: [2-[(E)-octadec-9-enoyl]oxy-3-(2-pyrrolidin-1-ylethoxysulfonylamino)propyl] (E)-octadec-9-enoate Openeye Name: [2-[(E)-octadec-9-enoyl]oxy-3-(2-pyrrolidin-1-ylethoxysulfonylamino)propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-[(E)-1-oxooctadec-9-enoxy]-3-[2-(1-pyrrolidinyl)ethoxysulfonylamino]propyl] ester IUPAC Name: [2-[(E)-octadec-9-enoyl]oxy-3-(2-pyrrolidin-1-ylethoxysulfonylamino)propyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-[(E)-octadec-9-enoyl]oxy-3-(2-pyrrolidinoethoxysulfonylamino)propyl] ester Formula: C45H84N2O7S MolecularWeight: 797.22266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CNS(=O)(=O)OCCN1CCCC1)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CNS(=O)(=O)OCCN1CCCC1)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C45H84N2O7S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-44(48)52-42-43(41-46-55(50,51)53-40-39-47-37-33-34-38-47)54-45(49)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43,46H,3-16,21-42H2,1-2H3/b19-17+,20-18+