1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl 3-ethoxypropanoate

Systemtic Name: 1-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxypropan-2-yl 3-ethoxypropanoate Openeye Name: [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] 3-ethoxypropanoate CAS Name: 3-ethoxypropanoic acid 1-[(1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl)oxy]propan-2-yl ester IUPAC Name: 1-(1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl)oxypropan-2-yl 3-ethoxypropanoate Traditional Name: 3-ethoxypropionic acid [1-methyl-2-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)oxy-ethyl] ester Formula: C28H42O5 MolecularWeight: 458.63008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCOCC

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)OCC(C)OC(=O)CCOCC

InChI

InChI=1S/C28H42O5/c1-4-6-7-8-9-13-21-31-28(32-23-24(3)33-27(29)18-22-30-5-2)19-16-26(17-20-28)25-14-11-10-12-15-25/h10-12,14-17,19-20,24,26H,4-9,13,18,21-23H2,1-3H3