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

Systemtic Name: (2-pentadecan-4-ylphenyl) 4-[4-(1-decoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propyldodecyl)phenyl] 4-[4-(1-decoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-decoxyethyl)phenyl]benzoic acid (2-pentadecan-4-ylphenyl) ester IUPAC Name: (2-pentadecan-4-ylphenyl) 4-[4-(1-decoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-decoxyethyl)phenyl]benzoic acid [2-(1-propyldodecyl)phenyl] ester Formula: C46H68O3 MolecularWeight: 669.03032

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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)OCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C46H68O3/c1-5-8-10-12-14-16-17-19-21-26-42(25-7-3)44-27-22-23-28-45(44)49-46(47)43-35-33-41(34-36-43)40-31-29-39(30-32-40)38(4)48-37-24-20-18-15-13-11-9-6-2/h22-23,27-36,38,42H,5-21,24-26,37H2,1-4H3