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

Systemtic Name: (1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate Openeye Name: (1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate CAS Name: 4-(1-eicosoxyethyl)benzoic acid (1-hexoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-hexoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate Traditional Name: 4-(1-arachyloxyethyl)benzoic acid (1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C47H72O4 MolecularWeight: 701.07218

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)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C47H72O4/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-39-49-41(3)42-31-33-45(34-32-42)46(48)51-47(50-40-28-9-7-5-2)37-35-44(36-38-47)43-29-25-24-26-30-43/h24-26,29-38,41,44H,4-23,27-28,39-40H2,1-3H3