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

Systemtic Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-dodecylbenzoate Openeye Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-dodecylbenzoate CAS Name: 4-dodecylbenzoic 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-dodecylbenzoate Traditional Name: 4-laurylbenzoic acid [1-(1-cetyloxyethyl)-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(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=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)49(40-38-46(39-41-49)45-32-28-26-29-33-45)52-48(50)47-36-34-44(35-37-47)31-27-24-22-20-15-13-11-9-7-5-2/h26,28-29,32-41,43,46H,4-25,27,30-31,42H2,1-3H3