(2-pentan-2-yloxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate

Systemtic Name: (2-pentan-2-yloxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Openeye Name: [2-(1-methylbutoxy)phenyl] 4-[4-(1-octadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octadecoxyethyl)phenyl]benzoic acid (2-pentan-2-yloxyphenyl) ester IUPAC Name: (2-pentan-2-yloxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-stearyloxyethyl)phenyl]benzoic acid [2-(1-methylbutoxy)phenyl] ester Formula: C44H64O4 MolecularWeight: 656.97656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OC(C)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OC(C)CCC

InChI

InChI=1S/C44H64O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-35-46-37(4)38-27-29-39(30-28-38)40-31-33-41(34-32-40)44(45)48-43-26-22-21-25-42(43)47-36(3)24-6-2/h21-22,25-34,36-37H,5-20,23-24,35H2,1-4H3