1-(4-phenylmethoxyphenyl)ethyl heptacosanoate

Systemtic Name: 1-(4-phenylmethoxyphenyl)ethyl heptacosanoate Openeye Name: 1-(4-benzyloxyphenyl)ethyl heptacosanoate CAS Name: heptacosanoic acid 1-(4-phenylmethoxyphenyl)ethyl ester IUPAC Name: 1-(4-phenylmethoxyphenyl)ethyl heptacosanoate Traditional Name: heptacosanoic acid 1-(4-benzoxyphenyl)ethyl ester Formula: C42H68O3 MolecularWeight: 620.98752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)C1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)C1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C42H68O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-32-42(43)45-38(2)40-33-35-41(36-34-40)44-37-39-30-27-26-28-31-39/h26-28,30-31,33-36,38H,3-25,29,32,37H2,1-2H3