[1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-dodecoxybenzoate

Systemtic Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-dodecoxybenzoate Openeye Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-dodecoxybenzoate CAS Name: 4-dodecoxybenzoic acid [1-(1-hexadecoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-hexadecoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-dodecoxybenzoate Traditional Name: 4-lauryloxybenzoic acid [1-(1-cetyloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C49H76O4 MolecularWeight: 729.12534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H76O4/c1-4-6-8-10-12-14-16-17-18-19-21-22-24-29-41-51-43(3)49(39-37-45(38-40-49)44-31-27-26-28-32-44)53-48(50)46-33-35-47(36-34-46)52-42-30-25-23-20-15-13-11-9-7-5-2/h26-28,31-40,43,45H,4-25,29-30,41-42H2,1-3H3