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

Systemtic Name: (1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate Openeye Name: (1-pentyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate CAS Name: 4-(1-eicosoxyethyl)benzoic acid (1-pentyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-pentyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate Traditional Name: 4-(1-arachyloxyethyl)benzoic acid (1-amyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C46H70O3 MolecularWeight: 671.0462

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)CCCCC

Isomeric SMILES

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

InChI

InChI=1S/C46H70O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-39-48-40(3)41-30-32-44(33-31-41)45(47)49-46(36-26-7-5-2)37-34-43(35-38-46)42-28-24-23-25-29-42/h23-25,28-35,37-38,40,43H,4-22,26-27,36,39H2,1-3H3