[4-(methylamino)-5-[(E)-octadec-9-enoyl]oxy-4-oxidanyl-hexan-2-yl] (E)-octadec-9-enoate

Systemtic Name: [4-(methylamino)-5-[(E)-octadec-9-enoyl]oxy-4-oxidanyl-hexan-2-yl] (E)-octadec-9-enoate Openeye Name: [3-hydroxy-1-methyl-3-(methylamino)-4-[(E)-octadec-9-enoyl]oxy-pentyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [4-hydroxy-4-(methylamino)-5-[(E)-1-oxooctadec-9-enoxy]hexan-2-yl] ester IUPAC Name: [4-hydroxy-4-(methylamino)-5-[(E)-octadec-9-enoyl]oxyhexan-2-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-hydroxy-1-methyl-3-(methylamino)-4-[(E)-octadec-9-enoyl]oxy-pentyl] ester Formula: C43H81NO5 MolecularWeight: 692.10694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H81NO5/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(45)48-39(3)38-43(47,44-5)40(4)49-42(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,39-40,44,47H,6-19,24-38H2,1-5H3/b22-20+,23-21+