phenyl (E)-pentacos-3-enoate

Systemtic Name: phenyl (E)-pentacos-3-enoate Openeye Name: phenyl (E)-pentacos-3-enoate CAS Name: (E)-3-pentacosenoic acid phenyl ester IUPAC Name: phenyl (E)-pentacos-3-enoate Traditional Name: (E)-pentacos-3-enoic acid phenyl ester Formula: C31H52O2 MolecularWeight: 456.74338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC=CCC(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC/C=C/CC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C31H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-31(32)33-30-27-24-23-25-28-30/h22-28H,2-21,29H2,1H3/b26-22+