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

Systemtic Name: (2-octan-4-ylphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propylpentyl)phenyl] 4-[4-(1-icosoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-eicosoxyethyl)phenyl]benzoic acid (2-octan-4-ylphenyl) ester IUPAC Name: (2-octan-4-ylphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-arachyloxyethyl)phenyl]benzoic acid [2-(1-propylpentyl)phenyl] ester Formula: C49H74O3 MolecularWeight: 711.11006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H74O3/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-40-51-41(4)42-32-34-43(35-33-42)44-36-38-46(39-37-44)49(50)52-48-31-26-25-30-47(48)45(28-7-3)29-9-6-2/h25-26,30-39,41,45H,5-24,27-29,40H2,1-4H3