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

Systemtic Name: (4-phenyl-1-propoxy-cyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate Openeye Name: (4-phenyl-1-propoxy-cyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate CAS Name: 4-(1-eicosoxyethyl)benzoic acid (4-phenyl-1-propoxy-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (4-phenyl-1-propoxycyclohexa-2,5-dien-1-yl) 4-(1-icosoxyethyl)benzoate Traditional Name: 4-(1-arachyloxyethyl)benzoic acid (4-phenyl-1-propoxy-cyclohexa-2,5-dien-1-yl) ester Formula: C44H66O4 MolecularWeight: 658.99244

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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)OCCC

Isomeric SMILES

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

InChI

InChI=1S/C44H66O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-37-46-38(3)39-28-30-42(31-29-39)43(45)48-44(47-36-5-2)34-32-41(33-35-44)40-26-23-22-24-27-40/h22-24,26-35,38,41H,4-21,25,36-37H2,1-3H3