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

Systemtic Name: (2-butoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Openeye Name: (2-butoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octadecoxyethyl)phenyl]benzoic acid (2-butoxyphenyl) ester IUPAC Name: (2-butoxyphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-stearyloxyethyl)phenyl]benzoic acid (2-butoxyphenyl) ester Formula: C43H62O4 MolecularWeight: 642.94998

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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=C3OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C43H62O4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-35-45-36(3)37-26-28-38(29-27-37)39-30-32-40(33-31-39)43(44)47-42-25-22-21-24-41(42)46-34-7-5-2/h21-22,24-33,36H,4-20,23,34-35H2,1-3H3