[4-(4-octoxyphenyl)carbonyloxy-3-undecyl-phenyl] 4-octoxybenzoate

Systemtic Name: [4-(4-octoxyphenyl)carbonyloxy-3-undecyl-phenyl] 4-octoxybenzoate Openeye Name: [4-(4-octoxybenzoyl)oxy-3-undecyl-phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [4-[(4-octoxyphenyl)-oxomethoxy]-3-undecylphenyl] ester IUPAC Name: [4-(4-octoxybenzoyl)oxy-3-undecylphenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-(4-octoxybenzoyl)oxy-3-undecyl-phenyl] ester Formula: C47H68O6 MolecularWeight: 729.03922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCCC)OC(=O)C3=CC=C(C=C3)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC1=C(C=CC(=C1)OC(=O)C2=CC=C(C=C2)OCCCCCCCC)OC(=O)C3=CC=C(C=C3)OCCCCCCCC

InChI

InChI=1S/C47H68O6/c1-4-7-10-13-16-17-18-19-22-25-41-38-44(52-46(48)39-26-30-42(31-27-39)50-36-23-20-14-11-8-5-2)34-35-45(41)53-47(49)40-28-32-43(33-29-40)51-37-24-21-15-12-9-6-3/h26-35,38H,4-25,36-37H2,1-3H3