[(E)-4-azanyl-5-oxidanyl-2-oxidanylidene-icos-6-en-3-yl] ethanoate

Systemtic Name: [(E)-4-azanyl-5-oxidanyl-2-oxidanylidene-icos-6-en-3-yl] ethanoate Openeye Name: [(E)-1-acetyl-2-amino-3-hydroxy-octadec-4-enyl] acetate CAS Name: acetic acid [(E)-4-amino-5-hydroxy-2-oxoeicos-6-en-3-yl] ester IUPAC Name: [(E)-4-amino-5-hydroxy-2-oxoicos-6-en-3-yl] acetate Traditional Name: acetic acid [(E)-1-acetyl-2-amino-3-hydroxy-octadec-4-enyl] ester Formula: C22H41NO4 MolecularWeight: 383.56524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(C(C(=O)C)OC(=O)C)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(C(C(=O)C)OC(=O)C)N)O

InChI

InChI=1S/C22H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)21(23)22(18(2)24)27-19(3)25/h16-17,20-22,26H,4-15,23H2,1-3H3/b17-16+