[(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] (E)-dotriacont-23-enoate

Systemtic Name: [(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] (E)-dotriacont-23-enoate Openeye Name: [(E)-2-amino-3-hydroxy-octadec-4-enyl] (E)-dotriacont-23-enoate CAS Name: (E)-23-dotriacontenoic acid [(E)-2-amino-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E)-2-amino-3-hydroxyoctadec-4-enyl] (E)-dotriacont-23-enoate Traditional Name: (E)-dotriacont-23-enoic acid [(E)-2-amino-3-hydroxy-octadec-4-enyl] ester Formula: C50H97NO3 MolecularWeight: 760.31008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC(=O)CCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCC)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COC(=O)CCCCCCCCCCCCCCCCCCCCC/C=C/CCCCCCCC)N)O

InChI

InChI=1S/C50H97NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-50(53)54-47-48(51)49(52)45-43-41-39-37-35-33-16-14-12-10-8-6-4-2/h17-18,43,45,48-49,52H,3-16,19-42,44,46-47,51H2,1-2H3/b18-17+,45-43+