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

Systemtic Name: [3-(2-dimethylaminoethylsulfamoyloxy)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [3-(2-dimethylaminoethylsulfamoyloxy)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-(2-dimethylaminoethylsulfamoyloxy)-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [3-(2-dimethylaminoethylsulfamoyloxy)-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-(2-dimethylaminoethylsulfamoyloxy)-2-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C43H82N2O7S MolecularWeight: 771.18538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COS(=O)(=O)NCCN(C)C)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COS(=O)(=O)NCCN(C)C)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C43H82N2O7S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)50-39-41(40-51-53(48,49)44-37-38-45(3)4)52-43(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41,44H,5-18,23-40H2,1-4H3/b21-19+,22-20+