[3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [3-(tert-butoxycarbonylamino)-3-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-(tert-butoxycarbonylamino)-3-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C44H81NO6 MolecularWeight: 720.11704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCC(NC(=O)OC(C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCC(NC(=O)OC(C)(C)C)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C44H81NO6/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(46)49-39-38-40(45-43(48)51-44(3,4)5)50-42(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,40H,6-19,24-39H2,1-5H3,(H,45,48)/b22-20+,23-21+