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

Systemtic Name: (1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate Openeye Name: (1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate CAS Name: 4-(1-eicosoxyethyl)benzoic acid (1-nonyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-nonyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate Traditional Name: 4-(1-arachyloxyethyl)benzoic acid (1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C50H78O3 MolecularWeight: 727.15252

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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)CCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C50H78O3/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-24-26-31-43-52-44(3)45-34-36-48(37-35-45)49(51)53-50(40-30-25-23-11-9-7-5-2)41-38-47(39-42-50)46-32-28-27-29-33-46/h27-29,32-39,41-42,44,47H,4-26,30-31,40,43H2,1-3H3