[1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-octylbenzoate

Systemtic Name: [1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-octylbenzoate Openeye Name: [1-(1-icosoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-octylbenzoate CAS Name: 4-octylbenzoic acid [1-(1-eicosoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-icosoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-octylbenzoate Traditional Name: 4-octylbenzoic acid [1-(1-arachyloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C49H76O3 MolecularWeight: 713.12594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCCCCCCC

InChI

InChI=1S/C49H76O3/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-25-30-42-51-43(3)49(40-38-46(39-41-49)45-32-28-26-29-33-45)52-48(50)47-36-34-44(35-37-47)31-27-24-11-9-7-5-2/h26,28-29,32-41,43,46H,4-25,27,30-31,42H2,1-3H3