(2-pentadecoxyphenyl) 4-[4-(1-octoxyethyl)phenyl]benzoate

Systemtic Name: (2-pentadecoxyphenyl) 4-[4-(1-octoxyethyl)phenyl]benzoate Openeye Name: (2-pentadecoxyphenyl) 4-[4-(1-octoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octoxyethyl)phenyl]benzoic acid (2-pentadecoxyphenyl) ester IUPAC Name: (2-pentadecoxyphenyl) 4-[4-(1-octoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-octoxyethyl)phenyl]benzoic acid (2-pentadecoxyphenyl) ester Formula: C44H64O4 MolecularWeight: 656.97656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCCCCCC

InChI

InChI=1S/C44H64O4/c1-4-6-8-10-12-13-14-15-16-17-18-20-24-36-47-42-25-21-22-26-43(42)48-44(45)41-33-31-40(32-34-41)39-29-27-38(28-30-39)37(3)46-35-23-19-11-9-7-5-2/h21-22,25-34,37H,4-20,23-24,35-36H2,1-3H3