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

Systemtic Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate Openeye Name: (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate CAS Name: 4-(1-eicosoxyethyl)benzoic acid (1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate Traditional Name: 4-(1-arachyloxyethyl)benzoic acid (1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C48H74O3 MolecularWeight: 699.09936

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)CCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C48H74O3/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29-41-50-42(3)43-32-34-46(35-33-43)47(49)51-48(38-28-23-9-7-5-2)39-36-45(37-40-48)44-30-26-25-27-31-44/h25-27,30-37,39-40,42,45H,4-24,28-29,38,41H2,1-3H3