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

Systemtic Name: (1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate Openeye Name: (1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate CAS Name: 4-(1-eicosoxyethyl)benzoic acid (1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-octoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate Traditional Name: 4-(1-arachyloxyethyl)benzoic acid (1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C49H76O4 MolecularWeight: 729.12534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H76O4/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-24-29-41-51-43(3)44-33-35-47(36-34-44)48(50)53-49(52-42-30-25-11-9-7-5-2)39-37-46(38-40-49)45-31-27-26-28-32-45/h26-28,31-40,43,46H,4-25,29-30,41-42H2,1-3H3