4-[(E)-13-azanyl-12-oxidanyl-octadec-9-enoyl]oxybutyl (E)-13-azanyl-12-oxidanyl-octadec-9-enoate

Systemtic Name: 4-[(E)-13-azanyl-12-oxidanyl-octadec-9-enoyl]oxybutyl (E)-13-azanyl-12-oxidanyl-octadec-9-enoate Openeye Name: 4-[(E)-13-amino-12-hydroxy-octadec-9-enoyl]oxybutyl (E)-13-amino-12-hydroxy-octadec-9-enoate CAS Name: (E)-13-amino-12-hydroxy-9-octadecenoic acid 4-[(E)-13-amino-12-hydroxy-1-oxooctadec-9-enoxy]butyl ester IUPAC Name: 4-[(E)-13-amino-12-hydroxyoctadec-9-enoyl]oxybutyl (E)-13-amino-12-hydroxyoctadec-9-enoate Traditional Name: (E)-13-amino-12-hydroxy-octadec-9-enoic acid 4-[(E)-13-amino-12-hydroxy-octadec-9-enoyl]oxybutyl ester Formula: C40H76N2O6 MolecularWeight: 681.04124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC=CCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCC=CCC(C(CCCCC)N)O)O)N

Isomeric SMILES

CCCCCC(N)C(O)C/C=C/CCCCCCCC(=O)OCCCCOC(=O)CCCCCCC/C=C/CC(O)C(N)CCCCC

InChI

InChI=1S/C40H76N2O6/c1-3-5-19-27-35(41)37(43)29-21-15-11-7-9-13-17-23-31-39(45)47-33-25-26-34-48-40(46)32-24-18-14-10-8-12-16-22-30-38(44)36(42)28-20-6-4-2/h15-16,21-22,35-38,43-44H,3-14,17-20,23-34,41-42H2,1-2H3/b21-15+,22-16+