(2-butylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate

Systemtic Name: (2-butylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Openeye Name: (2-butylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexadecoxyethyl)phenyl]benzoic acid (2-butylphenyl) ester IUPAC Name: (2-butylphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-cetyloxyethyl)phenyl]benzoic acid (2-butylphenyl) ester Formula: C41H58O3 MolecularWeight: 598.89742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCCC

InChI

InChI=1S/C41H58O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-21-33-43-34(3)35-25-27-36(28-26-35)37-29-31-39(32-30-37)41(42)44-40-24-20-19-23-38(40)22-7-5-2/h19-20,23-32,34H,4-18,21-22,33H2,1-3H3