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

Systemtic Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate Openeye Name: [1-(1-octadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate CAS Name: 4-pentadecoxybenzoic 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-pentadecoxybenzoate Traditional Name: 4-pentadecoxybenzoic acid [4-phenyl-1-(1-stearyloxyethyl)cyclohexa-2,5-dien-1-yl] ester Formula: C54H86O4 MolecularWeight: 799.25824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H86O4/c1-4-6-8-10-12-14-16-18-19-20-22-23-25-27-29-34-46-56-48(3)54(44-42-50(43-45-54)49-36-32-31-33-37-49)58-53(55)51-38-40-52(41-39-51)57-47-35-30-28-26-24-21-17-15-13-11-9-7-5-2/h31-33,36-45,48,50H,4-30,34-35,46-47H2,1-3H3