[1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-dodecylbenzoate

Systemtic Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-dodecylbenzoate Openeye Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-dodecylbenzoate CAS Name: 4-dodecylbenzoic acid [1-(1-octadecoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-octadecoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-dodecylbenzoate Traditional Name: 4-laurylbenzoic acid [4-phenyl-1-(1-stearyloxyethyl)cyclohexa-2,5-dien-1-yl] ester Formula: C51H80O3 MolecularWeight: 741.1791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCCCCCCCCCCC

InChI

InChI=1S/C51H80O3/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-32-44-53-45(3)51(42-40-48(41-43-51)47-34-30-28-31-35-47)54-50(52)49-38-36-46(37-39-49)33-29-26-24-22-15-13-11-9-7-5-2/h28,30-31,34-43,45,48H,4-27,29,32-33,44H2,1-3H3