[4-(4-pentadecylphenyl)phenyl] 4-(1-hexoxyethyl)benzoate

Systemtic Name: [4-(4-pentadecylphenyl)phenyl] 4-(1-hexoxyethyl)benzoate Openeye Name: [4-(4-pentadecylphenyl)phenyl] 4-(1-hexoxyethyl)benzoate CAS Name: 4-(1-hexoxyethyl)benzoic acid [4-(4-pentadecylphenyl)phenyl] ester IUPAC Name: [4-(4-pentadecylphenyl)phenyl] 4-(1-hexoxyethyl)benzoate Traditional Name: 4-(1-hexoxyethyl)benzoic acid [4-(4-pentadecylphenyl)phenyl] ester Formula: C42H60O3 MolecularWeight: 612.924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)OCCCCCC

InChI

InChI=1S/C42H60O3/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-21-36-22-24-38(25-23-36)39-30-32-41(33-31-39)45-42(43)40-28-26-37(27-29-40)35(3)44-34-20-9-7-5-2/h22-33,35H,4-21,34H2,1-3H3