[4-(4-heptylphenyl)phenyl] 4-(1-octadecoxyethyl)benzoate

Systemtic Name: [4-(4-heptylphenyl)phenyl] 4-(1-octadecoxyethyl)benzoate Openeye Name: [4-(4-heptylphenyl)phenyl] 4-(1-octadecoxyethyl)benzoate CAS Name: 4-(1-octadecoxyethyl)benzoic acid [4-(4-heptylphenyl)phenyl] ester IUPAC Name: [4-(4-heptylphenyl)phenyl] 4-(1-octadecoxyethyl)benzoate Traditional Name: 4-(1-stearyloxyethyl)benzoic acid [4-(4-heptylphenyl)phenyl] ester Formula: C46H68O3 MolecularWeight: 669.03032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)CCCCCCC

InChI

InChI=1S/C46H68O3/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-24-38-48-39(3)41-30-32-44(33-31-41)46(47)49-45-36-34-43(35-37-45)42-28-26-40(27-29-42)25-23-21-9-7-5-2/h26-37,39H,4-25,38H2,1-3H3