(2-pentadecan-4-ylphenyl) 4-[4-(1-octoxyethyl)phenyl]benzoate

Systemtic Name: (2-pentadecan-4-ylphenyl) 4-[4-(1-octoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propyldodecyl)phenyl] 4-[4-(1-octoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octoxyethyl)phenyl]benzoic acid (2-pentadecan-4-ylphenyl) ester IUPAC Name: (2-pentadecan-4-ylphenyl) 4-[4-(1-octoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-octoxyethyl)phenyl]benzoic acid [2-(1-propyldodecyl)phenyl] ester Formula: C44H64O3 MolecularWeight: 640.97716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCC)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(CCC)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCCCCCC

InChI

InChI=1S/C44H64O3/c1-5-8-10-12-14-15-16-17-19-24-40(23-7-3)42-25-20-21-26-43(42)47-44(45)41-33-31-39(32-34-41)38-29-27-37(28-30-38)36(4)46-35-22-18-13-11-9-6-2/h20-21,25-34,36,40H,5-19,22-24,35H2,1-4H3