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

Systemtic Name: (2-butoxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Openeye Name: (2-butoxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexadecoxyethyl)phenyl]benzoic acid (2-butoxyphenyl) ester IUPAC Name: (2-butoxyphenyl) 4-[4-(1-hexadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-cetyloxyethyl)phenyl]benzoic acid (2-butoxyphenyl) ester Formula: C41H58O4 MolecularWeight: 614.89682

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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=C3OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C41H58O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-21-33-43-34(3)35-24-26-36(27-25-35)37-28-30-38(31-29-37)41(42)45-40-23-20-19-22-39(40)44-32-7-5-2/h19-20,22-31,34H,4-18,21,32-33H2,1-3H3