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

Systemtic Name: (2-butylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Openeye Name: (2-butylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octadecoxyethyl)phenyl]benzoic acid (2-butylphenyl) ester IUPAC Name: (2-butylphenyl) 4-[4-(1-octadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-stearyloxyethyl)phenyl]benzoic acid (2-butylphenyl) ester Formula: C43H62O3 MolecularWeight: 626.95058

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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=C3CCCC

Isomeric SMILES

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

InChI

InChI=1S/C43H62O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-35-45-36(3)37-27-29-38(30-28-37)39-31-33-41(34-32-39)43(44)46-42-26-22-21-25-40(42)24-7-5-2/h21-22,25-34,36H,4-20,23-24,35H2,1-3H3