(2-hexan-3-ylphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate

Systemtic Name: (2-hexan-3-ylphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Openeye Name: [2-(1-ethylbutyl)phenyl] 4-[4-(1-icosoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-eicosoxyethyl)phenyl]benzoic acid (2-hexan-3-ylphenyl) ester IUPAC Name: (2-hexan-3-ylphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-arachyloxyethyl)phenyl]benzoic acid [2-(1-ethylbutyl)phenyl] ester Formula: C47H70O3 MolecularWeight: 683.0569

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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(CC)CCC

Isomeric SMILES

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

InChI

InChI=1S/C47H70O3/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-49-39(4)41-30-32-42(33-31-41)43-34-36-44(37-35-43)47(48)50-46-29-25-24-28-45(46)40(7-3)27-6-2/h24-25,28-37,39-40H,5-23,26-27,38H2,1-4H3