[4-(1-icosoxyethyl)phenyl] 4-(4-hexoxyphenyl)benzoate

Systemtic Name: [4-(1-icosoxyethyl)phenyl] 4-(4-hexoxyphenyl)benzoate Openeye Name: [4-(1-icosoxyethyl)phenyl] 4-(4-hexoxyphenyl)benzoate CAS Name: 4-(4-hexoxyphenyl)benzoic acid [4-(1-eicosoxyethyl)phenyl] ester IUPAC Name: [4-(1-icosoxyethyl)phenyl] 4-(4-hexoxyphenyl)benzoate Traditional Name: 4-(4-hexoxyphenyl)benzoic acid [4-(1-arachyloxyethyl)phenyl] ester Formula: C47H70O4 MolecularWeight: 699.0563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC

InChI

InChI=1S/C47H70O4/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-38-49-40(3)41-30-36-46(37-31-41)51-47(48)44-28-26-42(27-29-44)43-32-34-45(35-33-43)50-39-24-9-7-5-2/h26-37,40H,4-25,38-39H2,1-3H3