(2-octan-4-ylphenyl) 4-[4-(1-dodecoxyethyl)phenyl]benzoate

Systemtic Name: (2-octan-4-ylphenyl) 4-[4-(1-dodecoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propylpentyl)phenyl] 4-[4-(1-dodecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-dodecoxyethyl)phenyl]benzoic acid (2-octan-4-ylphenyl) ester IUPAC Name: (2-octan-4-ylphenyl) 4-[4-(1-dodecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-lauryloxyethyl)phenyl]benzoic acid [2-(1-propylpentyl)phenyl] ester Formula: C41H58O3 MolecularWeight: 598.89742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CCC)CCCC

Isomeric SMILES

CCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CCC)CCCC

InChI

InChI=1S/C41H58O3/c1-5-8-10-11-12-13-14-15-16-19-32-43-33(4)34-24-26-35(27-25-34)36-28-30-38(31-29-36)41(42)44-40-23-18-17-22-39(40)37(20-7-3)21-9-6-2/h17-18,22-31,33,37H,5-16,19-21,32H2,1-4H3