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

Systemtic Name: (2-pentoxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Openeye Name: (2-pentoxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-eicosoxyethyl)phenyl]benzoic acid (2-pentoxyphenyl) ester IUPAC Name: (2-pentoxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-arachyloxyethyl)phenyl]benzoic acid (2-amoxyphenyl) ester Formula: C46H68O4 MolecularWeight: 685.02972

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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=C3OCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OCCCCC

InChI

InChI=1S/C46H68O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-37-48-39(3)40-29-31-41(32-30-40)42-33-35-43(36-34-42)46(47)50-45-28-24-23-27-44(45)49-38-25-7-5-2/h23-24,27-36,39H,4-22,25-26,37-38H2,1-3H3