(1-dodecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-dodecoxyethyl)benzoate

Systemtic Name: (1-dodecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-dodecoxyethyl)benzoate Openeye Name: (1-dodecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-dodecoxyethyl)benzoate CAS Name: 4-(1-dodecoxyethyl)benzoic acid (1-dodecyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-dodecyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-dodecoxyethyl)benzoate Traditional Name: 4-(1-lauryloxyethyl)benzoic acid (1-lauryl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C45H68O3 MolecularWeight: 657.01962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCCCCCCCC

InChI

InChI=1S/C45H68O3/c1-4-6-8-10-12-14-16-18-20-25-35-45(36-33-42(34-37-45)41-27-23-22-24-28-41)48-44(46)43-31-29-40(30-32-43)39(3)47-38-26-21-19-17-15-13-11-9-7-5-2/h22-24,27-34,36-37,39,42H,4-21,25-26,35,38H2,1-3H3