[(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] octanoate

Systemtic Name: [(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] octanoate Openeye Name: [(E)-2-amino-3-hydroxy-octadec-4-enyl] octanoate CAS Name: octanoic acid [(E)-2-amino-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E)-2-amino-3-hydroxyoctadec-4-enyl] octanoate Traditional Name: caprylic acid [(E)-2-amino-3-hydroxy-octadec-4-enyl] ester Formula: C26H51NO3 MolecularWeight: 425.68804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC(=O)CCCCCCC)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COC(=O)CCCCCCC)N)O

InChI

InChI=1S/C26H51NO3/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-25(28)24(27)23-30-26(29)22-20-17-8-6-4-2/h19,21,24-25,28H,3-18,20,22-23,27H2,1-2H3/b21-19+