(2-hexylphenyl) 4-[4-(1-dodecoxyethyl)phenyl]benzoate

Systemtic Name: (2-hexylphenyl) 4-[4-(1-dodecoxyethyl)phenyl]benzoate Openeye Name: (2-hexylphenyl) 4-[4-(1-dodecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-dodecoxyethyl)phenyl]benzoic acid (2-hexylphenyl) ester IUPAC Name: (2-hexylphenyl) 4-[4-(1-dodecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-lauryloxyethyl)phenyl]benzoic acid (2-hexylphenyl) ester Formula: C39H54O3 MolecularWeight: 570.84426

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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=C3CCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCCCCC

InChI

InChI=1S/C39H54O3/c1-4-6-8-10-11-12-13-14-15-19-31-41-32(3)33-23-25-34(26-24-33)35-27-29-37(30-28-35)39(40)42-38-22-18-17-21-36(38)20-16-9-7-5-2/h17-18,21-30,32H,4-16,19-20,31H2,1-3H3