(1-pentadecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate

Systemtic Name: (1-pentadecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate Openeye Name: (1-pentadecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate CAS Name: 4-(1-eicosoxyethyl)benzoic acid (1-pentadecoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-pentadecoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate Traditional Name: 4-(1-arachyloxyethyl)benzoic acid (1-pentadecoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C56H90O4 MolecularWeight: 827.3114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)OCCCCCCCCCCCCCCC

InChI

InChI=1S/C56H90O4/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-25-27-29-31-36-48-58-50(3)51-40-42-54(43-41-51)55(57)60-56(46-44-53(45-47-56)52-38-34-33-35-39-52)59-49-37-32-30-28-26-23-17-15-13-11-9-7-5-2/h33-35,38-47,50,53H,4-32,36-37,48-49H2,1-3H3