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

Systemtic Name: [2-(butylaminooxycarbonylamino)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [2-(butylaminooxycarbonylamino)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-[[butylaminooxy(oxo)methyl]amino]-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [2-(butylaminooxycarbonylamino)-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-(butylaminooxycarbonylamino)-3-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C44H82N2O6 MolecularWeight: 735.13168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)NC(=O)ONCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(NC(=O)ONCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C44H82N2O6/c1-4-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-42(47)50-39-41(46-44(49)52-45-38-9-6-3)40-51-43(48)37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-5-2/h20-23,41,45H,4-19,24-40H2,1-3H3,(H,46,49)/b22-20+,23-21+