(1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octadecoxyethyl)benzoate

Systemtic Name: (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octadecoxyethyl)benzoate Openeye Name: (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-octadecoxyethyl)benzoate CAS Name: 4-(1-octadecoxyethyl)benzoic acid (1-pentadecyl-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-pentadecyl-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-octadecoxyethyl)benzoate Traditional Name: 4-(1-stearyloxyethyl)benzoic acid (1-pentadecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C54H86O3 MolecularWeight: 783.25884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCCCCCCCCCCCCC

InChI

InChI=1S/C54H86O3/c1-4-6-8-10-12-14-16-18-19-20-22-24-26-28-30-35-47-56-48(3)49-38-40-52(41-39-49)53(55)57-54(45-42-51(43-46-54)50-36-32-31-33-37-50)44-34-29-27-25-23-21-17-15-13-11-9-7-5-2/h31-33,36-43,45-46,48,51H,4-30,34-35,44,47H2,1-3H3