[(3R,5Z,15Z,25R)-3-oxidanyl-25-phenylmethoxy-hexacosa-5,15-dienyl] ethanoate

Systemtic Name: [(3R,5Z,15Z,25R)-3-oxidanyl-25-phenylmethoxy-hexacosa-5,15-dienyl] ethanoate Openeye Name: [(3R,5Z,15Z,25R)-25-benzyloxy-3-hydroxy-hexacosa-5,15-dienyl] acetate CAS Name: acetic acid [(3R,5Z,15Z,25R)-3-hydroxy-25-phenylmethoxyhexacosa-5,15-dienyl] ester IUPAC Name: [(3R,5Z,15Z,25R)-3-hydroxy-25-phenylmethoxyhexacosa-5,15-dienyl] acetate Traditional Name: acetic acid [(3R,5Z,15Z,25R)-25-benzoxy-3-hydroxy-hexacosa-5,15-dienyl] ester Formula: C35H58O4 MolecularWeight: 542.83262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCC=CCCCCCCCCC=CCC(CCOC(=O)C)O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@H](CCCCCCCC/C=C\CCCCCCCC/C=C\C[C@H](CCOC(=O)C)O)OCC1=CC=CC=C1

InChI

InChI=1S/C35H58O4/c1-32(39-31-34-26-22-20-23-27-34)25-21-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-24-28-35(37)29-30-38-33(2)36/h4,6,19-20,22-24,26-27,32,35,37H,3,5,7-18,21,25,28-31H2,1-2H3/b6-4-,24-19-/t32-,35-/m1/s1