(2-butoxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate

Systemtic Name: (2-butoxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Openeye Name: (2-butoxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-eicosoxyethyl)phenyl]benzoic acid (2-butoxyphenyl) ester IUPAC Name: (2-butoxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-arachyloxyethyl)phenyl]benzoic acid (2-butoxyphenyl) ester Formula: C45H66O4 MolecularWeight: 671.00314

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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=C3OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OCCCC

InChI

InChI=1S/C45H66O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-37-47-38(3)39-28-30-40(31-29-39)41-32-34-42(35-33-41)45(46)49-44-27-24-23-26-43(44)48-36-7-5-2/h23-24,26-35,38H,4-22,25,36-37H2,1-3H3