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

Systemtic Name: (1-dodecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate Openeye Name: (1-dodecyl-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-hexadecoxyethyl)benzoate CAS Name: 4-(1-hexadecoxyethyl)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-hexadecoxyethyl)benzoate Traditional Name: 4-(1-cetyloxyethyl)benzoic acid (1-lauryl-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C49H76O3 MolecularWeight: 713.12594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)CCCCCCCCCCCC

InChI

InChI=1S/C49H76O3/c1-4-6-8-10-12-14-16-17-18-19-21-23-25-30-42-51-43(3)44-33-35-47(36-34-44)48(50)52-49(39-29-24-22-20-15-13-11-9-7-5-2)40-37-46(38-41-49)45-31-27-26-28-32-45/h26-28,31-38,40-41,43,46H,4-25,29-30,39,42H2,1-3H3